REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1dp0_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.106 176.300 -0.324 0.000 0.893 13 R CA 0.000 55.976 56.100 -0.207 0.000 0.921 13 R CB 0.000 30.174 30.300 -0.209 0.000 0.687 14 R N 1.516 121.689 120.500 -0.545 0.000 3.570 14 R HA 0.123 4.470 4.340 0.012 0.000 0.233 14 R C -0.216 175.512 176.300 -0.953 0.000 1.492 14 R CA -0.312 55.013 56.100 -1.292 0.000 1.504 14 R CB 0.192 29.912 30.300 -0.968 0.000 1.314 14 R HN 0.502 nan 8.270 nan 0.000 0.687 15 D N 0.893 120.972 120.400 -0.535 0.000 2.309 15 D HA -0.172 4.476 4.640 0.012 0.000 0.212 15 D C 1.270 177.494 176.300 -0.126 0.000 0.968 15 D CA 1.043 54.825 54.000 -0.364 0.000 0.882 15 D CB 0.161 40.582 40.800 -0.631 0.000 0.918 15 D HN 0.638 nan 8.370 nan 0.000 0.503 16 W N 1.124 122.450 121.300 0.043 0.000 3.292 16 W HA 0.230 4.897 4.660 0.012 0.000 0.263 16 W C 0.474 177.093 176.519 0.167 0.000 1.318 16 W CA -0.322 57.152 57.345 0.215 0.000 1.663 16 W CB -0.206 29.430 29.460 0.293 0.000 1.114 16 W HN -0.212 nan 8.180 nan 0.000 0.706 17 E N 1.276 121.333 120.200 -0.238 0.000 3.157 17 E HA 0.056 4.414 4.350 0.012 0.000 0.203 17 E C -0.730 175.723 176.600 -0.245 0.000 0.982 17 E CA -0.214 56.079 56.400 -0.179 0.000 1.217 17 E CB -0.193 29.380 29.700 -0.213 0.000 1.123 17 E HN 0.024 nan 8.360 nan 0.000 0.457 18 N N 0.982 119.577 118.700 -0.174 0.000 2.629 18 N HA 0.126 4.874 4.740 0.012 0.000 0.277 18 N C -2.410 172.965 175.510 -0.226 0.000 1.188 18 N CA -1.872 51.037 53.050 -0.235 0.000 0.835 18 N CB 1.444 39.801 38.487 -0.216 0.000 1.420 18 N HN -0.165 nan 8.380 nan 0.000 0.542 19 P HA 0.094 nan 4.420 nan 0.000 0.234 19 P C 1.043 178.107 177.300 -0.393 0.000 1.167 19 P CA 0.522 63.310 63.100 -0.521 0.000 0.763 19 P CB 0.130 31.046 31.700 -1.308 0.000 0.835 20 G N -0.473 108.139 108.800 -0.315 0.000 2.712 20 G HA2 0.067 4.035 3.960 0.012 0.000 0.212 20 G HA3 0.067 4.035 3.960 0.012 0.000 0.212 20 G C 0.259 175.079 174.900 -0.134 0.000 1.142 20 G CA 0.178 45.144 45.100 -0.224 0.000 0.789 20 G HN 0.209 nan 8.290 nan 0.000 0.535 21 V N 1.643 121.498 119.914 -0.098 0.000 2.325 21 V HA 0.295 4.422 4.120 0.012 0.000 0.280 21 V C 0.799 176.948 176.094 0.091 0.000 1.016 21 V CA 0.074 62.366 62.300 -0.013 0.000 0.818 21 V CB 1.339 33.139 31.823 -0.039 0.000 1.019 21 V HN 0.323 nan 8.190 nan 0.000 0.434 22 T N 0.785 115.387 114.554 0.080 0.000 3.054 22 T HA 0.374 4.731 4.350 0.012 0.000 0.255 22 T C 0.218 174.965 174.700 0.079 0.000 1.035 22 T CA 0.003 62.157 62.100 0.089 0.000 0.941 22 T CB 0.281 69.156 68.868 0.011 0.000 1.026 22 T HN 0.688 nan 8.240 nan 0.000 0.533 23 Q N 0.185 120.077 119.800 0.153 0.000 2.776 23 Q HA 0.678 5.025 4.340 0.012 0.000 0.289 23 Q C -2.255 173.876 176.000 0.218 0.000 0.912 23 Q CA -1.054 54.834 55.803 0.141 0.000 0.789 23 Q CB 0.848 29.590 28.738 0.007 0.000 1.498 23 Q HN 0.208 nan 8.270 nan 0.000 0.408 24 L N 1.638 123.013 121.223 0.254 0.000 2.438 24 L HA 0.611 4.958 4.340 0.012 0.000 0.270 24 L C -0.580 176.405 176.870 0.192 0.000 0.972 24 L CA -0.878 54.108 54.840 0.243 0.000 0.831 24 L CB 1.934 44.239 42.059 0.409 0.000 1.273 24 L HN 0.850 nan 8.230 nan 0.000 0.405 25 N N 0.795 119.580 118.700 0.142 0.000 2.753 25 N HA -0.211 4.536 4.740 0.012 0.000 0.251 25 N C 0.156 175.756 175.510 0.151 0.000 1.097 25 N CA 0.844 53.973 53.050 0.130 0.000 0.786 25 N CB -0.826 37.691 38.487 0.050 0.000 1.137 25 N HN 0.655 nan 8.380 nan 0.000 0.566 26 R N 0.988 121.503 120.500 0.026 0.000 2.441 26 R HA 0.415 4.763 4.340 0.012 0.000 0.284 26 R C 0.536 176.706 176.300 -0.217 0.000 1.070 26 R CA -0.392 55.509 56.100 -0.331 0.000 1.047 26 R CB 0.556 30.649 30.300 -0.345 0.000 1.016 26 R HN 0.120 nan 8.270 nan 0.000 0.477 27 L N 2.960 124.025 121.223 -0.264 0.000 2.466 27 L HA 0.311 4.658 4.340 0.012 0.000 0.257 27 L C 0.700 177.519 176.870 -0.084 0.000 1.189 27 L CA -0.590 54.186 54.840 -0.107 0.000 0.813 27 L CB 0.648 42.676 42.059 -0.051 0.000 1.118 27 L HN 0.770 nan 8.230 nan 0.000 0.471 28 A N 1.210 124.022 122.820 -0.013 0.000 2.520 28 A HA 0.460 4.788 4.320 0.012 0.000 0.235 28 A C 0.329 177.916 177.584 0.004 0.000 1.065 28 A CA 0.078 52.114 52.037 -0.000 0.000 0.764 28 A CB 0.092 19.119 19.000 0.045 0.000 1.002 28 A HN 0.800 nan 8.150 nan 0.000 0.502 29 A N 1.384 124.156 122.820 -0.081 0.000 2.332 29 A HA 0.698 5.026 4.320 0.012 0.000 0.258 29 A C 0.101 177.576 177.584 -0.181 0.000 1.087 29 A CA 0.429 52.331 52.037 -0.225 0.000 0.802 29 A CB -0.006 18.869 19.000 -0.208 0.000 1.042 29 A HN 1.847 nan 8.150 nan 0.000 0.489 30 H N -2.304 116.611 119.070 -0.259 0.000 2.917 30 H HA 0.652 5.215 4.556 0.012 0.000 0.299 30 H C -3.396 171.650 175.328 -0.470 0.000 1.418 30 H CA -1.824 54.012 56.048 -0.354 0.000 1.138 30 H CB 0.064 29.510 29.762 -0.526 0.000 1.830 30 H HN 0.378 nan 8.280 nan 0.000 0.514 31 P HA 0.248 nan 4.420 nan 0.000 0.276 31 P C -2.610 174.547 177.300 -0.238 0.000 1.261 31 P CA -1.529 61.379 63.100 -0.320 0.000 0.800 31 P CB -0.111 31.314 31.700 -0.458 0.000 1.066 32 P HA 0.038 nan 4.420 nan 0.000 0.261 32 P C -0.786 176.723 177.300 0.349 0.000 1.183 32 P CA 1.189 64.338 63.100 0.082 0.000 0.761 32 P CB -0.115 31.666 31.700 0.135 0.000 0.785 33 F N 1.410 121.465 119.950 0.175 0.000 2.556 33 F HA 0.615 5.150 4.527 0.012 0.000 0.327 33 F C 0.965 176.713 175.800 -0.086 0.000 1.059 33 F CA -1.022 57.026 58.000 0.080 0.000 0.953 33 F CB 2.198 41.197 39.000 -0.002 0.000 1.227 33 F HN 0.204 nan 8.300 nan 0.000 0.478 34 A N 0.242 123.022 122.820 -0.066 0.000 2.664 34 A HA 0.239 4.566 4.320 0.012 0.000 0.222 34 A C 0.557 177.868 177.584 -0.454 0.000 1.320 34 A CA 0.467 52.234 52.037 -0.450 0.000 1.029 34 A CB -0.092 18.231 19.000 -1.129 0.000 1.318 34 A HN 0.767 nan 8.150 nan 0.000 0.589 35 S N 0.416 115.953 115.700 -0.271 0.000 3.524 35 S HA -0.147 4.331 4.470 0.012 0.000 0.377 35 S C 0.005 174.540 174.600 -0.108 0.000 0.949 35 S CA 0.463 58.557 58.200 -0.176 0.000 1.264 35 S CB -1.585 61.511 63.200 -0.173 0.000 0.918 35 S HN 0.468 nan 8.310 nan 0.000 0.517 36 W N 1.774 123.051 121.300 -0.038 0.000 2.137 36 W HA 0.277 4.944 4.660 0.012 0.000 0.344 36 W C 1.406 177.899 176.519 -0.043 0.000 1.286 36 W CA -0.567 56.761 57.345 -0.029 0.000 1.240 36 W CB 0.270 29.713 29.460 -0.029 0.000 1.141 36 W HN 0.349 nan 8.180 nan 0.000 0.579 37 R N 1.768 122.386 120.500 0.197 0.000 2.577 37 R HA 0.098 4.446 4.340 0.012 0.000 0.344 37 R C -0.107 176.241 176.300 0.079 0.000 1.037 37 R CA -0.140 56.018 56.100 0.096 0.000 1.102 37 R CB -0.091 30.235 30.300 0.043 0.000 1.313 37 R HN 0.352 nan 8.270 nan 0.000 0.561 38 N N -0.027 118.731 118.700 0.096 0.000 2.397 38 N HA 0.122 4.869 4.740 0.012 0.000 0.291 38 N C -0.168 175.305 175.510 -0.062 0.000 1.065 38 N CA -0.061 52.997 53.050 0.014 0.000 0.884 38 N CB 1.997 40.494 38.487 0.017 0.000 1.551 38 N HN -0.260 nan 8.380 nan 0.000 0.487 39 S N 2.163 117.804 115.700 -0.100 0.000 2.406 39 S HA -0.126 4.351 4.470 0.012 0.000 0.228 39 S C 1.351 175.771 174.600 -0.299 0.000 1.020 39 S CA 0.897 58.991 58.200 -0.176 0.000 0.965 39 S CB 0.055 63.185 63.200 -0.118 0.000 0.798 39 S HN 0.752 nan 8.310 nan 0.000 0.488 40 E N 1.705 121.751 120.200 -0.258 0.000 2.208 40 E HA -0.100 4.257 4.350 0.012 0.000 0.193 40 E C 1.751 178.133 176.600 -0.363 0.000 0.988 40 E CA 0.954 57.161 56.400 -0.322 0.000 0.828 40 E CB -0.117 29.453 29.700 -0.217 0.000 0.763 40 E HN 0.238 nan 8.360 nan 0.000 0.478 41 E N 0.162 120.160 120.200 -0.336 0.000 2.150 41 E HA -0.099 4.259 4.350 0.012 0.000 0.193 41 E C 1.927 177.945 176.600 -0.971 0.000 0.985 41 E CA 1.088 57.252 56.400 -0.393 0.000 0.814 41 E CB -0.400 29.219 29.700 -0.135 0.000 0.752 41 E HN 0.393 nan 8.360 nan 0.000 0.466 42 A N 1.411 123.454 122.820 -1.296 0.000 1.898 42 A HA -0.152 4.175 4.320 0.012 0.000 0.216 42 A C 2.228 179.216 177.584 -0.994 0.000 1.181 42 A CA 1.430 52.361 52.037 -1.844 0.000 0.620 42 A CB -0.424 17.994 19.000 -0.970 0.000 0.819 42 A HN 0.119 nan 8.150 nan 0.000 0.442 43 R N -0.055 120.038 120.500 -0.678 0.000 2.081 43 R HA -0.137 4.210 4.340 0.012 0.000 0.235 43 R C 2.029 178.071 176.300 -0.431 0.000 1.131 43 R CA 2.112 57.871 56.100 -0.567 0.000 0.960 43 R CB -0.488 29.351 30.300 -0.768 0.000 0.856 43 R HN 0.616 nan 8.270 nan 0.000 0.436 44 T N -2.536 111.781 114.554 -0.395 0.000 3.148 44 T HA 0.011 4.368 4.350 0.012 0.000 0.253 44 T C 0.351 174.962 174.700 -0.148 0.000 1.134 44 T CA 0.636 62.597 62.100 -0.233 0.000 1.051 44 T CB -0.007 68.752 68.868 -0.182 0.000 0.959 44 T HN 0.379 nan 8.240 nan 0.000 0.525 45 D N 0.683 120.957 120.400 -0.209 0.000 2.945 45 D HA -0.160 4.488 4.640 0.012 0.000 0.225 45 D C 0.105 176.521 176.300 0.193 0.000 1.158 45 D CA 0.468 54.498 54.000 0.051 0.000 0.805 45 D CB -1.097 39.777 40.800 0.123 0.000 1.098 45 D HN 0.603 nan 8.370 nan 0.000 0.426 46 R N -0.000 120.574 120.500 0.124 0.000 2.649 46 R HA 0.481 4.828 4.340 0.012 0.000 0.270 46 R C -2.077 174.481 176.300 0.430 0.000 1.105 46 R CA -1.280 54.946 56.100 0.209 0.000 1.193 46 R CB 0.100 30.465 30.300 0.110 0.000 1.120 46 R HN 0.073 nan 8.270 nan 0.000 0.561 47 P HA -0.026 nan 4.420 nan 0.000 0.269 47 P C -0.797 176.661 177.300 0.264 0.000 1.215 47 P CA 0.091 63.331 63.100 0.233 0.000 0.780 47 P CB 0.755 32.541 31.700 0.143 0.000 0.898 48 S N 1.127 116.854 115.700 0.044 0.000 2.454 48 S HA 0.143 4.620 4.470 0.012 0.000 0.306 48 S C 0.862 175.469 174.600 0.011 0.000 1.100 48 S CA -0.505 57.646 58.200 -0.081 0.000 1.087 48 S CB 0.544 63.381 63.200 -0.606 0.000 1.019 48 S HN 0.219 nan 8.310 nan 0.000 0.480 49 Q N 2.463 122.306 119.800 0.072 0.000 2.437 49 Q HA 0.006 4.353 4.340 0.012 0.000 0.210 49 Q C 0.835 176.950 176.000 0.192 0.000 0.972 49 Q CA 1.184 57.066 55.803 0.132 0.000 0.903 49 Q CB -0.036 28.779 28.738 0.129 0.000 0.967 49 Q HN 0.697 nan 8.270 nan 0.000 0.486 50 Q N -0.512 119.313 119.800 0.040 0.000 2.360 50 Q HA 0.132 4.480 4.340 0.012 0.000 0.202 50 Q C -0.380 175.649 176.000 0.049 0.000 0.915 50 Q CA 0.076 55.844 55.803 -0.058 0.000 0.943 50 Q CB 0.482 29.100 28.738 -0.200 0.000 1.064 50 Q HN 0.013 nan 8.270 nan 0.000 0.511 51 L N 0.645 121.923 121.223 0.091 0.000 2.377 51 L HA 0.454 4.801 4.340 0.012 0.000 0.270 51 L C -1.172 175.782 176.870 0.140 0.000 0.991 51 L CA -0.380 54.515 54.840 0.093 0.000 0.851 51 L CB 0.990 43.012 42.059 -0.061 0.000 1.218 51 L HN -0.106 nan 8.230 nan 0.000 0.420 52 R N 2.250 122.870 120.500 0.201 0.000 2.668 52 R HA 0.639 4.987 4.340 0.012 0.000 0.279 52 R C -0.559 175.765 176.300 0.041 0.000 0.976 52 R CA -0.804 55.359 56.100 0.105 0.000 0.978 52 R CB 1.995 32.325 30.300 0.051 0.000 1.133 52 R HN 0.632 nan 8.270 nan 0.000 0.484 53 S N 1.377 117.089 115.700 0.020 0.000 2.508 53 S HA 0.286 4.764 4.470 0.012 0.000 0.284 53 S C 0.598 175.192 174.600 -0.010 0.000 1.192 53 S CA -0.657 57.545 58.200 0.003 0.000 1.070 53 S CB 0.562 63.776 63.200 0.023 0.000 1.004 53 S HN 0.541 nan 8.310 nan 0.000 0.493 54 L N 3.516 124.727 121.223 -0.020 0.000 2.728 54 L HA 0.278 4.626 4.340 0.012 0.000 0.238 54 L C 0.238 177.235 176.870 0.210 0.000 1.143 54 L CA -0.311 54.530 54.840 0.003 0.000 0.937 54 L CB -0.269 41.719 42.059 -0.117 0.000 1.225 54 L HN 0.527 nan 8.230 nan 0.000 0.507 55 N N 1.157 119.942 118.700 0.140 0.000 2.416 55 N HA 0.427 5.174 4.740 0.012 0.000 0.246 55 N C 0.639 176.282 175.510 0.222 0.000 1.260 55 N CA 1.066 54.217 53.050 0.168 0.000 0.897 55 N CB 1.100 39.620 38.487 0.055 0.000 1.110 55 N HN 0.284 nan 8.380 nan 0.000 0.439 56 G N 0.188 109.141 108.800 0.254 0.000 2.288 56 G HA2 -0.065 3.902 3.960 0.012 0.000 0.227 56 G HA3 -0.065 3.902 3.960 0.012 0.000 0.227 56 G C -1.558 173.552 174.900 0.351 0.000 1.339 56 G CA -0.790 44.447 45.100 0.228 0.000 1.057 56 G HN 0.463 nan 8.290 nan 0.000 0.470 57 E N 0.003 120.379 120.200 0.294 0.000 2.229 57 E HA 0.476 4.834 4.350 0.012 0.000 0.283 57 E C -0.993 175.861 176.600 0.422 0.000 1.030 57 E CA -0.148 56.439 56.400 0.312 0.000 0.836 57 E CB 1.062 30.863 29.700 0.170 0.000 1.068 57 E HN 0.359 nan 8.360 nan 0.000 0.401 58 W N 1.597 122.985 121.300 0.147 0.000 2.894 58 W HA 0.418 5.085 4.660 0.012 0.000 0.345 58 W C 0.036 176.678 176.519 0.205 0.000 1.152 58 W CA -0.732 56.732 57.345 0.197 0.000 1.089 58 W CB 0.834 30.469 29.460 0.292 0.000 1.454 58 W HN 0.181 nan 8.180 nan 0.000 0.589 59 R N 1.438 122.224 120.500 0.477 0.000 2.532 59 R HA 0.616 4.963 4.340 0.012 0.000 0.295 59 R C -1.524 175.022 176.300 0.410 0.000 0.968 59 R CA -0.920 55.392 56.100 0.353 0.000 0.916 59 R CB 1.395 31.850 30.300 0.258 0.000 1.124 59 R HN 0.493 nan 8.270 nan 0.000 0.463 60 F N 0.371 120.356 119.950 0.058 0.000 2.591 60 F HA 0.642 5.177 4.527 0.012 0.000 0.309 60 F C -1.572 174.076 175.800 -0.254 0.000 1.098 60 F CA -0.608 57.288 58.000 -0.173 0.000 0.937 60 F CB 2.012 40.779 39.000 -0.387 0.000 1.250 60 F HN 0.613 nan 8.300 nan 0.000 0.447 61 A N 4.538 126.663 122.820 -1.157 0.000 2.422 61 A HA 0.554 4.881 4.320 0.012 0.000 0.302 61 A C -2.336 174.343 177.584 -1.508 0.000 1.041 61 A CA -0.534 50.876 52.037 -1.046 0.000 0.708 61 A CB 0.721 19.395 19.000 -0.543 0.000 1.257 61 A HN 0.975 nan 8.150 nan 0.000 0.414 62 W N 3.066 123.519 121.300 -1.411 0.000 2.417 62 W HA 0.716 5.383 4.660 0.012 0.000 0.317 62 W C -1.771 174.093 176.519 -1.091 0.000 1.121 62 W CA -0.334 56.325 57.345 -1.143 0.000 1.208 62 W CB 0.877 29.928 29.460 -0.682 0.000 1.253 62 W HN 0.499 nan 8.180 nan 0.000 0.533 63 F N 6.501 125.837 119.950 -1.024 0.000 2.561 63 F HA 0.386 4.921 4.527 0.012 0.000 0.321 63 F C -1.252 173.676 175.800 -1.455 0.000 1.065 63 F CA -2.387 55.084 58.000 -0.880 0.000 0.934 63 F CB 1.785 40.409 39.000 -0.627 0.000 1.215 63 F HN 0.227 nan 8.300 nan 0.000 0.471 64 P HA 0.168 nan 4.420 nan 0.000 0.245 64 P C -0.447 176.714 177.300 -0.233 0.000 1.206 64 P CA 0.701 63.506 63.100 -0.492 0.000 0.781 64 P CB 0.740 32.464 31.700 0.040 0.000 0.994 65 A N -0.113 122.585 122.820 -0.203 0.000 2.597 65 A HA 0.498 4.826 4.320 0.012 0.000 0.292 65 A C -2.520 174.959 177.584 -0.175 0.000 1.057 65 A CA -0.895 51.075 52.037 -0.111 0.000 0.674 65 A CB 0.433 19.430 19.000 -0.004 0.000 1.278 65 A HN -0.304 nan 8.150 nan 0.000 0.416 66 P HA -0.067 nan 4.420 nan 0.000 0.223 66 P C 0.689 177.884 177.300 -0.175 0.000 1.151 66 P CA 1.348 64.303 63.100 -0.242 0.000 0.787 66 P CB 0.266 31.783 31.700 -0.305 0.000 0.788 67 E N 0.099 120.256 120.200 -0.072 0.000 2.338 67 E HA -0.025 4.332 4.350 0.012 0.000 0.197 67 E C 1.953 178.484 176.600 -0.113 0.000 1.007 67 E CA 1.011 57.382 56.400 -0.048 0.000 0.849 67 E CB -0.812 28.898 29.700 0.017 0.000 0.774 67 E HN 0.228 nan 8.360 nan 0.000 0.506 68 A N 0.276 122.996 122.820 -0.166 0.000 2.251 68 A HA 0.112 4.440 4.320 0.012 0.000 0.209 68 A C 0.661 177.960 177.584 -0.476 0.000 1.187 68 A CA -0.159 51.777 52.037 -0.168 0.000 0.823 68 A CB 0.305 19.310 19.000 0.009 0.000 0.846 68 A HN 0.035 nan 8.150 nan 0.000 0.486 69 V N 3.175 122.670 119.914 -0.698 0.000 2.508 69 V HA 0.211 4.338 4.120 0.012 0.000 0.281 69 V C -2.035 173.715 176.094 -0.573 0.000 1.041 69 V CA -1.314 60.332 62.300 -1.090 0.000 1.016 69 V CB 0.700 31.943 31.823 -0.966 0.000 0.984 69 V HN 0.364 nan 8.190 nan 0.000 0.478 70 P HA 0.198 nan 4.420 nan 0.000 0.279 70 P C 0.627 177.859 177.300 -0.113 0.000 1.239 70 P CA -0.424 62.557 63.100 -0.198 0.000 0.789 70 P CB 1.035 32.674 31.700 -0.102 0.000 0.933 71 E N 2.310 122.459 120.200 -0.085 0.000 2.171 71 E HA -0.235 4.122 4.350 0.012 0.000 0.197 71 E C 1.465 178.039 176.600 -0.043 0.000 0.997 71 E CA 1.974 58.331 56.400 -0.071 0.000 0.810 71 E CB -0.321 29.344 29.700 -0.058 0.000 0.738 71 E HN 0.441 nan 8.360 nan 0.000 0.467 72 S N -0.185 115.508 115.700 -0.012 0.000 2.419 72 S HA -0.220 4.257 4.470 0.012 0.000 0.235 72 S C 1.721 176.339 174.600 0.030 0.000 1.019 72 S CA 0.866 59.067 58.200 0.002 0.000 0.982 72 S CB -1.004 62.208 63.200 0.020 0.000 0.789 72 S HN 0.664 nan 8.310 nan 0.000 0.490 73 W N 2.470 123.671 121.300 -0.165 0.000 2.341 73 W HA -0.018 4.649 4.660 0.012 0.000 0.283 73 W C 1.549 177.948 176.519 -0.200 0.000 1.215 73 W CA 1.004 58.249 57.345 -0.167 0.000 1.211 73 W CB -0.319 29.015 29.460 -0.210 0.000 1.131 73 W HN 0.270 nan 8.180 nan 0.000 0.552 74 L N 0.219 121.239 121.223 -0.338 0.000 2.201 74 L HA -0.129 4.219 4.340 0.012 0.000 0.212 74 L C 2.311 178.956 176.870 -0.374 0.000 1.105 74 L CA 1.148 55.623 54.840 -0.608 0.000 0.775 74 L CB -0.642 41.082 42.059 -0.559 0.000 0.913 74 L HN -0.039 nan 8.230 nan 0.000 0.440 75 E N -0.896 119.172 120.200 -0.220 0.000 2.340 75 E HA 0.057 4.414 4.350 0.012 0.000 0.198 75 E C 0.429 176.961 176.600 -0.113 0.000 0.961 75 E CA 0.468 56.788 56.400 -0.133 0.000 0.905 75 E CB 0.790 30.445 29.700 -0.075 0.000 0.884 75 E HN 0.508 nan 8.360 nan 0.000 0.491 76 C N -0.570 118.668 119.300 -0.103 0.000 3.239 76 C HA 0.504 4.971 4.460 0.012 0.000 0.317 76 C C -0.382 174.602 174.990 -0.010 0.000 1.310 76 C CA -1.458 57.525 59.018 -0.058 0.000 1.371 76 C CB 1.019 28.743 27.740 -0.027 0.000 1.714 76 C HN 0.131 nan 8.230 nan 0.000 0.473 77 D N 0.613 121.021 120.400 0.015 0.000 2.472 77 D HA 0.355 5.002 4.640 0.012 0.000 0.237 77 D C -0.317 176.055 176.300 0.120 0.000 1.141 77 D CA 0.226 54.277 54.000 0.086 0.000 0.875 77 D CB 0.552 41.391 40.800 0.065 0.000 1.192 77 D HN 0.597 nan 8.370 nan 0.000 0.450 78 L N 5.669 127.001 121.223 0.183 0.000 2.290 78 L HA 0.257 4.605 4.340 0.012 0.000 0.284 78 L C -1.343 175.582 176.870 0.092 0.000 1.078 78 L CA -1.535 53.389 54.840 0.142 0.000 0.815 78 L CB 1.311 43.463 42.059 0.156 0.000 1.162 78 L HN 0.515 nan 8.230 nan 0.000 0.435 79 P HA -0.208 nan 4.420 nan 0.000 0.218 79 P C 0.936 178.260 177.300 0.041 0.000 1.148 79 P CA 1.059 64.188 63.100 0.049 0.000 0.822 79 P CB 0.103 31.826 31.700 0.038 0.000 0.784 80 E N -0.454 119.765 120.200 0.032 0.000 2.489 80 E HA 0.114 4.471 4.350 0.012 0.000 0.193 80 E C 0.546 177.150 176.600 0.008 0.000 1.057 80 E CA -0.145 56.263 56.400 0.014 0.000 0.866 80 E CB -0.442 29.252 29.700 -0.010 0.000 0.916 80 E HN 0.023 nan 8.360 nan 0.000 0.500 81 A N 1.157 123.994 122.820 0.028 0.000 2.386 81 A HA 0.168 4.496 4.320 0.012 0.000 0.246 81 A C -0.177 177.453 177.584 0.075 0.000 1.089 81 A CA -0.082 51.972 52.037 0.028 0.000 0.790 81 A CB 0.323 19.371 19.000 0.080 0.000 1.042 81 A HN 0.148 nan 8.150 nan 0.000 0.497 82 D N -0.442 120.031 120.400 0.123 0.000 2.340 82 D HA 0.524 5.172 4.640 0.012 0.000 0.243 82 D C -0.577 175.831 176.300 0.180 0.000 0.988 82 D CA 0.024 54.120 54.000 0.161 0.000 0.959 82 D CB 1.516 42.470 40.800 0.256 0.000 1.226 82 D HN 0.398 nan 8.370 nan 0.000 0.509 83 T N 0.528 115.169 114.554 0.145 0.000 2.767 83 T HA 0.520 4.877 4.350 0.012 0.000 0.288 83 T C 0.097 174.881 174.700 0.141 0.000 0.963 83 T CA -0.525 61.669 62.100 0.158 0.000 1.019 83 T CB 0.761 69.700 68.868 0.118 0.000 0.923 83 T HN 0.259 nan 8.240 nan 0.000 0.468 84 V N 1.094 121.120 119.914 0.187 0.000 3.130 84 V HA 0.775 4.903 4.120 0.012 0.000 0.310 84 V C -0.285 175.912 176.094 0.172 0.000 1.158 84 V CA -1.073 61.289 62.300 0.104 0.000 1.029 84 V CB 1.627 33.510 31.823 0.101 0.000 1.057 84 V HN 0.532 nan 8.190 nan 0.000 0.436 85 V N 2.052 122.037 119.914 0.117 0.000 2.686 85 V HA 0.476 4.603 4.120 0.012 0.000 0.295 85 V C 0.062 176.223 176.094 0.112 0.000 1.055 85 V CA 0.070 62.448 62.300 0.129 0.000 1.050 85 V CB 1.375 33.244 31.823 0.076 0.000 0.984 85 V HN 0.753 nan 8.190 nan 0.000 0.482 86 V N 7.144 127.049 119.914 -0.014 0.000 2.588 86 V HA 0.462 4.589 4.120 0.012 0.000 0.304 86 V C -2.284 173.692 176.094 -0.197 0.000 1.042 86 V CA -1.640 60.504 62.300 -0.260 0.000 0.877 86 V CB 2.539 33.808 31.823 -0.924 0.000 0.996 86 V HN 0.767 nan 8.190 nan 0.000 0.425 87 P HA 0.461 nan 4.420 nan 0.000 0.277 87 P C -0.838 176.396 177.300 -0.109 0.000 1.240 87 P CA -0.109 62.868 63.100 -0.204 0.000 0.798 87 P CB 1.403 32.997 31.700 -0.178 0.000 0.979 88 S N 0.247 115.898 115.700 -0.081 0.000 2.595 88 S HA 0.391 4.868 4.470 0.012 0.000 0.270 88 S C -1.294 173.251 174.600 -0.092 0.000 1.145 88 S CA -1.043 57.097 58.200 -0.099 0.000 0.825 88 S CB 0.397 63.516 63.200 -0.135 0.000 1.107 88 S HN 0.365 nan 8.310 nan 0.000 0.461 89 N N 0.974 119.549 118.700 -0.207 0.000 2.408 89 N HA 0.430 5.177 4.740 0.012 0.000 0.280 89 N C 0.524 175.858 175.510 -0.293 0.000 1.002 89 N CA -0.826 52.074 53.050 -0.250 0.000 0.907 89 N CB 0.722 39.029 38.487 -0.300 0.000 1.161 89 N HN 0.853 nan 8.380 nan 0.000 0.488 90 W N 2.622 123.777 121.300 -0.241 0.000 2.392 90 W HA -0.084 4.583 4.660 0.013 0.000 0.279 90 W C 1.061 177.536 176.519 -0.074 0.000 1.225 90 W CA 0.773 57.973 57.345 -0.243 0.000 1.233 90 W CB -0.370 28.961 29.460 -0.216 0.000 1.122 90 W HN 0.517 nan 8.180 nan 0.000 0.561 91 Q N 0.500 120.258 119.800 -0.070 0.000 2.170 91 Q HA -0.148 4.200 4.340 0.012 0.000 0.203 91 Q C 2.202 178.128 176.000 -0.124 0.000 0.976 91 Q CA 2.140 57.901 55.803 -0.071 0.000 0.858 91 Q CB -0.566 28.004 28.738 -0.279 0.000 0.907 91 Q HN 0.267 nan 8.270 nan 0.000 0.433 92 M N -0.824 118.659 119.600 -0.195 0.000 2.549 92 M HA -0.081 4.406 4.480 0.012 0.000 0.260 92 M C 0.692 177.024 176.300 0.053 0.000 1.076 92 M CA 1.458 56.674 55.300 -0.141 0.000 1.090 92 M CB -0.644 31.860 32.600 -0.161 0.000 1.418 92 M HN 0.380 nan 8.290 nan 0.000 0.486 93 H N -0.875 118.198 119.070 0.004 0.000 2.551 93 H HA 0.294 4.857 4.556 0.013 0.000 0.271 93 H C 1.318 176.516 175.328 -0.216 0.000 0.984 93 H CA 0.086 56.106 56.048 -0.045 0.000 1.164 93 H CB 0.399 30.216 29.762 0.092 0.000 1.437 93 H HN 0.563 nan 8.280 nan 0.000 0.550 94 G N 0.543 109.322 108.800 -0.035 0.000 2.176 94 G HA2 -0.373 3.594 3.960 0.012 0.000 0.253 94 G HA3 -0.373 3.594 3.960 0.012 0.000 0.253 94 G C 0.461 175.225 174.900 -0.225 0.000 0.979 94 G CA 0.341 45.358 45.100 -0.140 0.000 0.641 94 G HN 0.481 nan 8.290 nan 0.000 0.530 95 Y N 1.702 122.024 120.300 0.035 0.000 2.274 95 Y HA 0.221 4.779 4.550 0.012 0.000 0.290 95 Y C 1.712 177.397 175.900 -0.358 0.000 1.145 95 Y CA 1.676 59.688 58.100 -0.147 0.000 1.203 95 Y CB 0.163 38.620 38.460 -0.005 0.000 0.984 95 Y HN 0.661 nan 8.280 nan 0.000 0.533 96 D N -2.002 118.459 120.400 0.102 0.000 2.665 96 D HA 0.497 5.144 4.640 0.012 0.000 0.287 96 D C -1.230 175.144 176.300 0.123 0.000 1.266 96 D CA -0.848 53.209 54.000 0.095 0.000 0.830 96 D CB 0.785 41.770 40.800 0.309 0.000 1.356 96 D HN -0.049 nan 8.370 nan 0.000 0.437 97 A N -0.005 122.894 122.820 0.132 0.000 2.310 97 A HA 0.713 5.040 4.320 0.012 0.000 0.299 97 A C -2.354 175.240 177.584 0.018 0.000 1.147 97 A CA -1.189 50.893 52.037 0.075 0.000 0.818 97 A CB 0.125 19.244 19.000 0.198 0.000 1.096 97 A HN 0.539 nan 8.150 nan 0.000 0.495 98 P HA 0.450 nan 4.420 nan 0.000 0.277 98 P C -0.890 176.583 177.300 0.289 0.000 1.240 98 P CA 0.040 63.079 63.100 -0.103 0.000 0.798 98 P CB 0.750 32.107 31.700 -0.570 0.000 0.979 99 I N 2.025 122.873 120.570 0.463 0.000 2.433 99 I HA 0.252 4.430 4.170 0.012 0.000 0.292 99 I C -0.607 175.710 176.117 0.333 0.000 1.001 99 I CA -0.968 60.592 61.300 0.433 0.000 1.119 99 I CB 1.626 39.808 38.000 0.304 0.000 1.289 99 I HN 0.288 nan 8.210 nan 0.000 0.438 100 Y N 6.246 126.480 120.300 -0.111 0.000 2.491 100 Y HA 0.504 5.061 4.550 0.012 0.000 0.334 100 Y C -0.344 175.391 175.900 -0.274 0.000 0.969 100 Y CA -0.556 57.182 58.100 -0.603 0.000 1.241 100 Y CB 1.118 38.701 38.460 -1.461 0.000 1.105 100 Y HN 0.522 nan 8.280 nan 0.000 0.503 101 T N 5.314 119.364 114.554 -0.840 0.000 2.876 101 T HA 0.264 4.621 4.350 0.012 0.000 0.289 101 T C 0.213 174.423 174.700 -0.817 0.000 1.014 101 T CA -0.574 61.065 62.100 -0.768 0.000 0.986 101 T CB 1.074 69.726 68.868 -0.360 0.000 1.021 101 T HN 0.775 nan 8.240 nan 0.000 0.458 102 N N 2.881 121.139 118.700 -0.736 0.000 2.335 102 N HA 0.058 4.806 4.740 0.012 0.000 0.197 102 N C 1.522 176.763 175.510 -0.448 0.000 1.045 102 N CA 1.372 54.130 53.050 -0.486 0.000 0.928 102 N CB -0.514 37.713 38.487 -0.432 0.000 1.118 102 N HN 0.401 nan 8.380 nan 0.000 0.471 103 V N 0.388 119.968 119.914 -0.556 0.000 2.581 103 V HA 0.132 4.259 4.120 0.012 0.000 0.240 103 V C 0.373 176.155 176.094 -0.519 0.000 1.054 103 V CA 0.731 62.621 62.300 -0.682 0.000 1.076 103 V CB -0.484 30.826 31.823 -0.855 0.000 0.748 103 V HN 0.294 nan 8.190 nan 0.000 0.474 104 T N 0.987 115.300 114.554 -0.401 0.000 2.902 104 T HA 0.133 4.490 4.350 0.012 0.000 0.301 104 T C -0.331 174.232 174.700 -0.228 0.000 1.012 104 T CA 0.283 62.225 62.100 -0.264 0.000 1.151 104 T CB -0.126 68.617 68.868 -0.208 0.000 0.946 104 T HN 0.177 nan 8.240 nan 0.000 0.542 105 Y N 4.427 124.624 120.300 -0.172 0.000 2.550 105 Y HA 0.121 4.678 4.550 0.012 0.000 0.343 105 Y C -0.816 174.949 175.900 -0.224 0.000 1.245 105 Y CA -1.603 56.384 58.100 -0.188 0.000 1.462 105 Y CB 0.467 38.812 38.460 -0.192 0.000 1.340 105 Y HN 0.514 nan 8.280 nan 0.000 0.604 106 P HA 0.010 nan 4.420 nan 0.000 0.245 106 P C -0.384 176.677 177.300 -0.399 0.000 1.212 106 P CA 1.055 64.032 63.100 -0.205 0.000 0.774 106 P CB 0.027 31.627 31.700 -0.167 0.000 0.999 107 I N -5.351 114.968 120.570 -0.418 0.000 3.002 107 I HA 0.492 4.669 4.170 0.012 0.000 0.310 107 I C -0.543 175.434 176.117 -0.233 0.000 1.087 107 I CA -1.236 59.790 61.300 -0.456 0.000 1.017 107 I CB 1.709 39.302 38.000 -0.678 0.000 1.226 107 I HN -0.470 nan 8.210 nan 0.000 0.443 108 T N 2.788 117.250 114.554 -0.155 0.000 2.934 108 T HA 0.120 4.478 4.350 0.012 0.000 0.306 108 T C 0.200 174.880 174.700 -0.033 0.000 1.042 108 T CA -0.129 61.932 62.100 -0.064 0.000 1.145 108 T CB 0.511 69.365 68.868 -0.024 0.000 0.982 108 T HN 0.375 nan 8.240 nan 0.000 0.544 109 V N 5.232 125.143 119.914 -0.006 0.000 2.352 109 V HA 0.224 4.351 4.120 0.012 0.000 0.253 109 V C 0.693 176.833 176.094 0.076 0.000 1.083 109 V CA -0.171 62.147 62.300 0.030 0.000 0.993 109 V CB -0.219 31.607 31.823 0.004 0.000 1.111 109 V HN 0.843 nan 8.190 nan 0.000 0.490 110 N N 5.979 124.783 118.700 0.174 0.000 2.666 110 N HA 0.252 4.999 4.740 0.012 0.000 0.253 110 N C -2.930 172.670 175.510 0.149 0.000 1.621 110 N CA -1.299 51.844 53.050 0.155 0.000 0.785 110 N CB 1.434 40.046 38.487 0.208 0.000 1.332 110 N HN 0.260 nan 8.380 nan 0.000 0.514 111 P HA 0.180 nan 4.420 nan 0.000 0.266 111 P C -2.250 174.863 177.300 -0.311 0.000 1.195 111 P CA -0.663 62.054 63.100 -0.638 0.000 0.768 111 P CB 0.533 31.696 31.700 -0.895 0.000 0.838 112 P HA 0.244 nan 4.420 nan 0.000 0.266 112 P C -0.408 176.781 177.300 -0.185 0.000 1.561 112 P CA -0.288 62.614 63.100 -0.330 0.000 1.089 112 P CB 0.054 31.521 31.700 -0.388 0.000 1.534 113 F N 0.995 121.047 119.950 0.171 0.000 2.380 113 F HA 0.317 4.852 4.527 0.013 0.000 0.325 113 F C 1.359 177.326 175.800 0.279 0.000 1.136 113 F CA -0.726 57.388 58.000 0.189 0.000 1.171 113 F CB 0.849 39.910 39.000 0.103 0.000 1.230 113 F HN -0.218 nan 8.300 nan 0.000 0.554 114 V N -0.903 119.290 119.914 0.464 0.000 3.126 114 V HA 0.682 4.809 4.120 0.012 0.000 0.314 114 V C -2.770 173.483 176.094 0.264 0.000 1.138 114 V CA -2.942 59.552 62.300 0.324 0.000 1.034 114 V CB 1.342 33.417 31.823 0.419 0.000 1.075 114 V HN 0.463 nan 8.190 nan 0.000 0.442 115 P HA 0.159 nan 4.420 nan 0.000 0.266 115 P C 1.061 178.496 177.300 0.226 0.000 1.193 115 P CA 0.652 63.841 63.100 0.149 0.000 0.770 115 P CB 0.535 32.306 31.700 0.117 0.000 0.836 116 T N -1.443 113.215 114.554 0.173 0.000 2.951 116 T HA -0.064 4.294 4.350 0.012 0.000 0.268 116 T C 0.466 175.275 174.700 0.181 0.000 1.073 116 T CA 0.713 62.923 62.100 0.184 0.000 1.134 116 T CB -0.443 68.500 68.868 0.126 0.000 0.884 116 T HN 0.382 nan 8.240 nan 0.000 0.479 117 E N 2.572 122.878 120.200 0.177 0.000 1.996 117 E HA 0.313 4.670 4.350 0.012 0.000 0.280 117 E C -0.725 176.035 176.600 0.267 0.000 1.092 117 E CA -0.406 56.106 56.400 0.187 0.000 0.862 117 E CB 0.243 30.055 29.700 0.188 0.000 1.066 117 E HN 0.234 nan 8.360 nan 0.000 0.396 118 N N 4.559 123.389 118.700 0.216 0.000 2.577 118 N HA 0.244 4.992 4.740 0.012 0.000 0.275 118 N C -2.913 172.620 175.510 0.037 0.000 1.091 118 N CA -2.480 50.732 53.050 0.270 0.000 0.843 118 N CB 1.283 39.931 38.487 0.268 0.000 1.295 118 N HN 0.041 nan 8.380 nan 0.000 0.530 119 P HA 0.026 nan 4.420 nan 0.000 0.261 119 P C -0.830 176.355 177.300 -0.192 0.000 1.173 119 P CA 0.540 63.550 63.100 -0.150 0.000 0.760 119 P CB 0.448 32.375 31.700 0.377 0.000 0.783 120 T N 2.821 117.011 114.554 -0.606 0.000 2.812 120 T HA 0.548 4.906 4.350 0.012 0.000 0.282 120 T C 0.222 174.444 174.700 -0.797 0.000 0.990 120 T CA -0.550 61.274 62.100 -0.461 0.000 0.960 120 T CB 1.481 70.105 68.868 -0.406 0.000 0.948 120 T HN 0.330 nan 8.240 nan 0.000 0.438 121 G N 1.163 109.561 108.800 -0.670 0.000 2.347 121 G HA2 0.453 4.420 3.960 0.012 0.000 0.314 121 G HA3 0.453 4.420 3.960 0.012 0.000 0.314 121 G C -0.121 174.574 174.900 -0.340 0.000 1.126 121 G CA -0.360 44.236 45.100 -0.840 0.000 0.929 121 G HN 0.875 nan 8.290 nan 0.000 0.441 122 C N 3.541 122.423 119.300 -0.696 0.000 2.227 122 C HA 0.416 4.883 4.460 0.012 0.000 0.333 122 C C -0.346 174.681 174.990 0.062 0.000 1.145 122 C CA -0.875 57.890 59.018 -0.423 0.000 1.643 122 C CB -2.000 25.036 27.740 -1.172 0.000 2.185 122 C HN 0.618 nan 8.230 nan 0.000 0.497 123 Y N 1.881 122.477 120.300 0.494 0.000 2.419 123 Y HA 0.639 5.197 4.550 0.013 0.000 0.328 123 Y C 0.831 177.166 175.900 0.725 0.000 1.162 123 Y CA -0.071 58.413 58.100 0.640 0.000 1.174 123 Y CB 1.515 40.349 38.460 0.624 0.000 1.228 123 Y HN 0.665 nan 8.280 nan 0.000 0.473 124 S N 1.938 118.112 115.700 0.790 0.000 2.596 124 S HA 0.817 5.294 4.470 0.012 0.000 0.270 124 S C -1.960 172.720 174.600 0.133 0.000 1.155 124 S CA -0.827 57.616 58.200 0.405 0.000 0.827 124 S CB 2.184 65.508 63.200 0.206 0.000 1.130 124 S HN 0.620 nan 8.310 nan 0.000 0.467 125 L N 0.579 121.699 121.223 -0.172 0.000 2.513 125 L HA 0.718 5.065 4.340 0.012 0.000 0.261 125 L C -1.217 175.594 176.870 -0.099 0.000 0.945 125 L CA 0.119 54.708 54.840 -0.419 0.000 0.848 125 L CB 2.263 43.534 42.059 -1.313 0.000 1.334 125 L HN 0.903 nan 8.230 nan 0.000 0.407 126 T N 5.626 120.148 114.554 -0.053 0.000 2.758 126 T HA 0.739 5.096 4.350 0.012 0.000 0.285 126 T C -0.811 173.924 174.700 0.058 0.000 0.981 126 T CA 0.009 62.111 62.100 0.002 0.000 0.965 126 T CB 0.181 69.021 68.868 -0.048 0.000 0.927 126 T HN 0.464 nan 8.240 nan 0.000 0.448 127 F N 1.183 121.032 119.950 -0.169 0.000 2.664 127 F HA 0.764 5.298 4.527 0.013 0.000 0.317 127 F C -0.732 174.987 175.800 -0.134 0.000 1.108 127 F CA -1.566 56.336 58.000 -0.163 0.000 0.957 127 F CB 1.349 40.228 39.000 -0.200 0.000 1.365 127 F HN 0.342 nan 8.300 nan 0.000 0.475 128 N N 0.258 118.866 118.700 -0.153 0.000 2.487 128 N HA 0.636 5.383 4.740 0.012 0.000 0.292 128 N C -1.923 173.456 175.510 -0.219 0.000 1.108 128 N CA -0.444 52.463 53.050 -0.239 0.000 0.956 128 N CB 1.943 40.351 38.487 -0.133 0.000 1.176 128 N HN 0.647 nan 8.380 nan 0.000 0.484 129 V N 2.261 122.014 119.914 -0.269 0.000 2.577 129 V HA 0.291 4.418 4.120 0.012 0.000 0.303 129 V C -0.728 175.235 176.094 -0.218 0.000 1.042 129 V CA -0.966 61.179 62.300 -0.257 0.000 0.872 129 V CB 1.594 33.330 31.823 -0.145 0.000 0.998 129 V HN 0.706 nan 8.190 nan 0.000 0.423 130 D N 2.469 122.688 120.400 -0.300 0.000 2.372 130 D HA 0.139 4.787 4.640 0.012 0.000 0.243 130 D C 1.085 177.379 176.300 -0.010 0.000 1.121 130 D CA -0.024 53.891 54.000 -0.142 0.000 0.898 130 D CB 1.621 42.335 40.800 -0.144 0.000 1.202 130 D HN 0.714 nan 8.370 nan 0.000 0.428 131 E N 0.461 120.671 120.200 0.016 0.000 2.160 131 E HA -0.209 4.149 4.350 0.012 0.000 0.195 131 E C 1.702 178.369 176.600 0.110 0.000 0.991 131 E CA 1.410 57.843 56.400 0.055 0.000 0.810 131 E CB 0.192 29.912 29.700 0.032 0.000 0.742 131 E HN 0.468 nan 8.360 nan 0.000 0.466 132 S N -0.586 115.192 115.700 0.130 0.000 2.399 132 S HA -0.183 4.295 4.470 0.012 0.000 0.231 132 S C 1.513 176.216 174.600 0.172 0.000 1.022 132 S CA 0.909 59.191 58.200 0.137 0.000 0.983 132 S CB -0.617 62.659 63.200 0.126 0.000 0.803 132 S HN 0.391 nan 8.310 nan 0.000 0.480 133 W N 1.673 122.928 121.300 -0.076 0.000 2.465 133 W HA 0.340 5.008 4.660 0.012 0.000 0.268 133 W C 1.818 178.425 176.519 0.146 0.000 1.242 133 W CA -0.101 57.213 57.345 -0.052 0.000 1.248 133 W CB -0.511 28.990 29.460 0.069 0.000 1.118 133 W HN 0.312 nan 8.180 nan 0.000 0.587 134 L N -0.160 121.247 121.223 0.307 0.000 2.554 134 L HA 0.031 4.378 4.340 0.012 0.000 0.225 134 L C 2.135 179.095 176.870 0.150 0.000 1.104 134 L CA 0.390 55.362 54.840 0.219 0.000 0.866 134 L CB -0.477 41.676 42.059 0.157 0.000 1.047 134 L HN -0.083 nan 8.230 nan 0.000 0.468 135 Q N 1.017 120.893 119.800 0.128 0.000 2.378 135 Q HA 0.010 4.358 4.340 0.012 0.000 0.205 135 Q C 0.222 176.273 176.000 0.086 0.000 0.954 135 Q CA 0.604 56.458 55.803 0.085 0.000 0.901 135 Q CB 0.463 29.237 28.738 0.060 0.000 0.981 135 Q HN 0.656 nan 8.270 nan 0.000 0.483 136 E N -1.721 118.555 120.200 0.127 0.000 2.423 136 E HA 0.495 4.853 4.350 0.012 0.000 0.280 136 E C -0.181 176.541 176.600 0.204 0.000 1.030 136 E CA -0.407 56.065 56.400 0.120 0.000 0.812 136 E CB 1.307 31.058 29.700 0.084 0.000 1.313 136 E HN 0.034 nan 8.360 nan 0.000 0.456 137 G N 0.825 109.675 108.800 0.083 0.000 2.698 137 G HA2 -0.278 3.689 3.960 0.012 0.000 0.233 137 G HA3 -0.278 3.689 3.960 0.012 0.000 0.233 137 G C -0.725 174.084 174.900 -0.153 0.000 1.352 137 G CA 0.203 45.263 45.100 -0.066 0.000 0.879 137 G HN 0.779 nan 8.290 nan 0.000 0.567 138 Q N -0.614 118.934 119.800 -0.419 0.000 2.340 138 Q HA 0.645 4.992 4.340 0.012 0.000 0.268 138 Q C -1.020 174.804 176.000 -0.293 0.000 1.031 138 Q CA -0.489 55.169 55.803 -0.240 0.000 0.804 138 Q CB 1.644 30.285 28.738 -0.162 0.000 1.286 138 Q HN 0.627 nan 8.270 nan 0.000 0.448 139 T N 4.728 119.284 114.554 0.003 0.000 2.786 139 T HA 0.488 4.846 4.350 0.012 0.000 0.283 139 T C -0.680 174.127 174.700 0.179 0.000 0.992 139 T CA -0.667 61.533 62.100 0.166 0.000 0.954 139 T CB 0.637 69.747 68.868 0.404 0.000 0.934 139 T HN 0.651 nan 8.240 nan 0.000 0.440 140 R N 2.852 123.446 120.500 0.156 0.000 2.832 140 R HA 0.802 5.149 4.340 0.012 0.000 0.271 140 R C -1.052 175.341 176.300 0.155 0.000 0.996 140 R CA -0.981 55.210 56.100 0.152 0.000 0.977 140 R CB 1.519 31.883 30.300 0.106 0.000 1.168 140 R HN 0.570 nan 8.270 nan 0.000 0.482 141 I N 2.047 122.712 120.570 0.159 0.000 2.562 141 I HA 0.479 4.657 4.170 0.012 0.000 0.301 141 I C -1.128 175.025 176.117 0.061 0.000 1.003 141 I CA -1.323 60.019 61.300 0.070 0.000 1.127 141 I CB 1.470 39.508 38.000 0.065 0.000 1.304 141 I HN 0.625 nan 8.210 nan 0.000 0.446 142 I N 6.794 127.299 120.570 -0.109 0.000 2.499 142 I HA 0.305 4.482 4.170 0.012 0.000 0.288 142 I C -1.392 174.583 176.117 -0.237 0.000 1.048 142 I CA -0.375 60.888 61.300 -0.062 0.000 1.062 142 I CB 1.778 39.750 38.000 -0.047 0.000 1.238 142 I HN 0.381 nan 8.210 nan 0.000 0.426 143 F N 4.403 124.340 119.950 -0.022 0.000 2.347 143 F HA 0.285 4.819 4.527 0.012 0.000 0.366 143 F C 1.255 176.947 175.800 -0.180 0.000 1.107 143 F CA -0.452 57.465 58.000 -0.138 0.000 1.058 143 F CB 0.990 39.873 39.000 -0.196 0.000 1.236 143 F HN 0.450 nan 8.300 nan 0.000 0.456 144 D N 2.336 122.656 120.400 -0.134 0.000 2.264 144 D HA 0.050 4.698 4.640 0.012 0.000 0.208 144 D C 0.946 177.085 176.300 -0.269 0.000 0.966 144 D CA 0.913 54.790 54.000 -0.204 0.000 0.864 144 D CB 0.390 41.011 40.800 -0.297 0.000 0.933 144 D HN 0.623 nan 8.370 nan 0.000 0.499 145 G N -0.490 108.087 108.800 -0.371 0.000 2.552 145 G HA2 0.450 4.417 3.960 0.012 0.000 0.288 145 G HA3 0.450 4.417 3.960 0.012 0.000 0.288 145 G C -1.490 173.172 174.900 -0.396 0.000 1.358 145 G CA -0.386 44.383 45.100 -0.553 0.000 1.305 145 G HN -0.060 nan 8.290 nan 0.000 0.602 146 V N 2.634 122.521 119.914 -0.045 0.000 2.569 146 V HA 0.520 4.648 4.120 0.012 0.000 0.301 146 V C -0.907 175.281 176.094 0.157 0.000 1.044 146 V CA -1.154 61.114 62.300 -0.054 0.000 0.874 146 V CB 1.973 33.505 31.823 -0.485 0.000 1.002 146 V HN 0.701 nan 8.190 nan 0.000 0.424 147 N N 2.508 121.291 118.700 0.137 0.000 2.479 147 N HA 0.333 5.080 4.740 0.012 0.000 0.261 147 N C 0.559 176.010 175.510 -0.099 0.000 0.979 147 N CA 0.163 53.201 53.050 -0.021 0.000 0.930 147 N CB 2.188 40.501 38.487 -0.290 0.000 1.172 147 N HN 0.678 nan 8.380 nan 0.000 0.499 148 S N 1.855 117.534 115.700 -0.035 0.000 2.526 148 S HA 0.580 5.057 4.470 0.012 0.000 0.220 148 S C 0.293 174.954 174.600 0.102 0.000 1.017 148 S CA 0.028 58.255 58.200 0.044 0.000 0.930 148 S CB 0.380 63.623 63.200 0.071 0.000 0.856 148 S HN 0.647 nan 8.310 nan 0.000 0.497 149 A N 0.902 123.793 122.820 0.117 0.000 2.604 149 A HA 0.749 5.077 4.320 0.012 0.000 0.295 149 A C -1.313 176.342 177.584 0.119 0.000 1.067 149 A CA -0.975 51.081 52.037 0.031 0.000 0.683 149 A CB 0.839 19.897 19.000 0.097 0.000 1.281 149 A HN 1.078 nan 8.150 nan 0.000 0.407 150 F N -0.265 119.465 119.950 -0.366 0.000 2.678 150 F HA 0.747 5.281 4.527 0.012 0.000 0.308 150 F C -1.095 174.567 175.800 -0.230 0.000 1.118 150 F CA -0.770 57.121 58.000 -0.182 0.000 0.959 150 F CB 1.196 40.088 39.000 -0.181 0.000 1.305 150 F HN 0.624 nan 8.300 nan 0.000 0.443 151 H N 2.171 121.373 119.070 0.221 0.000 2.499 151 H HA 0.704 5.267 4.556 0.013 0.000 0.340 151 H C -1.377 173.887 175.328 -0.107 0.000 1.148 151 H CA -0.693 55.351 56.048 -0.006 0.000 1.215 151 H CB 2.479 32.231 29.762 -0.017 0.000 1.529 151 H HN 0.812 nan 8.280 nan 0.000 0.510 152 L N 2.925 123.892 121.223 -0.426 0.000 2.386 152 L HA 0.419 4.767 4.340 0.012 0.000 0.271 152 L C -1.632 174.899 176.870 -0.565 0.000 0.993 152 L CA -0.491 54.158 54.840 -0.317 0.000 0.819 152 L CB 1.568 43.352 42.059 -0.458 0.000 1.294 152 L HN 0.507 nan 8.230 nan 0.000 0.414 153 W N 4.265 125.502 121.300 -0.105 0.000 2.844 153 W HA 0.583 5.250 4.660 0.013 0.000 0.340 153 W C -1.157 175.281 176.519 -0.135 0.000 1.093 153 W CA -0.830 56.446 57.345 -0.117 0.000 1.212 153 W CB 2.046 31.480 29.460 -0.043 0.000 1.422 153 W HN 0.598 nan 8.180 nan 0.000 0.515 154 C N 4.651 123.994 119.300 0.072 0.000 2.396 154 C HA 0.300 4.767 4.460 0.012 0.000 0.321 154 C C 0.340 175.435 174.990 0.175 0.000 1.233 154 C CA -0.326 58.741 59.018 0.082 0.000 1.440 154 C CB -0.502 27.215 27.740 -0.040 0.000 2.110 154 C HN 0.803 nan 8.230 nan 0.000 0.473 155 N N 3.542 122.311 118.700 0.115 0.000 2.727 155 N HA -0.193 4.555 4.740 0.012 0.000 0.249 155 N C 0.978 176.549 175.510 0.102 0.000 1.048 155 N CA 1.990 55.091 53.050 0.084 0.000 0.714 155 N CB -1.290 37.257 38.487 0.099 0.000 0.959 155 N HN 1.783 nan 8.380 nan 0.000 0.544 156 G N -1.268 107.583 108.800 0.085 0.000 2.184 156 G HA2 -0.369 3.598 3.960 0.012 0.000 0.264 156 G HA3 -0.369 3.598 3.960 0.012 0.000 0.264 156 G C 0.131 175.183 174.900 0.254 0.000 0.975 156 G CA 0.673 45.818 45.100 0.074 0.000 0.642 156 G HN 0.549 nan 8.290 nan 0.000 0.536 157 R N -1.030 119.687 120.500 0.361 0.000 2.460 157 R HA 0.411 4.759 4.340 0.012 0.000 0.303 157 R C -0.327 176.289 176.300 0.527 0.000 0.968 157 R CA -0.887 55.504 56.100 0.484 0.000 0.889 157 R CB 1.143 31.757 30.300 0.523 0.000 1.123 157 R HN 0.192 nan 8.270 nan 0.000 0.455 158 W N 3.668 125.144 121.300 0.294 0.000 2.251 158 W HA 0.062 4.729 4.660 0.012 0.000 0.327 158 W C 0.120 176.547 176.519 -0.154 0.000 1.361 158 W CA 0.115 57.340 57.345 -0.201 0.000 1.234 158 W CB 0.668 30.007 29.460 -0.201 0.000 1.212 158 W HN 0.335 nan 8.180 nan 0.000 0.557 159 V N 5.353 124.523 119.914 -1.240 0.000 2.743 159 V HA 0.539 4.666 4.120 0.012 0.000 0.237 159 V C 1.079 176.165 176.094 -1.680 0.000 1.113 159 V CA 1.095 62.634 62.300 -1.268 0.000 1.141 159 V CB -0.343 30.764 31.823 -1.193 0.000 0.873 159 V HN 0.828 nan 8.190 nan 0.000 0.486 160 G N -1.798 105.773 108.800 -2.048 0.000 2.341 160 G HA2 0.436 4.403 3.960 0.012 0.000 0.299 160 G HA3 0.436 4.403 3.960 0.012 0.000 0.299 160 G C -2.401 172.034 174.900 -0.776 0.000 1.274 160 G CA -0.210 44.029 45.100 -1.435 0.000 0.853 160 G HN 0.013 nan 8.290 nan 0.000 0.493 161 Y N -0.500 119.508 120.300 -0.486 0.000 2.571 161 Y HA 0.691 5.249 4.550 0.012 0.000 0.341 161 Y C -0.066 175.588 175.900 -0.410 0.000 1.076 161 Y CA 0.024 57.789 58.100 -0.559 0.000 1.029 161 Y CB 2.239 40.520 38.460 -0.299 0.000 1.308 161 Y HN 1.260 nan 8.280 nan 0.000 0.461 162 G N 3.554 111.508 108.800 -1.409 0.000 2.718 162 G HA2 0.585 4.553 3.960 0.012 0.000 0.295 162 G HA3 0.585 4.553 3.960 0.012 0.000 0.295 162 G C -2.115 172.308 174.900 -0.795 0.000 1.421 162 G CA -0.855 43.723 45.100 -0.870 0.000 0.902 162 G HN 0.609 nan 8.290 nan 0.000 0.501 163 Q N -0.306 119.297 119.800 -0.327 0.000 2.552 163 Q HA 0.590 4.937 4.340 0.012 0.000 0.289 163 Q C -1.382 174.620 176.000 0.003 0.000 1.097 163 Q CA -0.829 54.908 55.803 -0.110 0.000 0.812 163 Q CB 2.640 31.364 28.738 -0.023 0.000 1.460 163 Q HN 0.636 nan 8.270 nan 0.000 0.452 164 D N -0.194 120.244 120.400 0.065 0.000 4.303 164 D HA -0.094 4.553 4.640 0.012 0.000 0.230 164 D C -0.516 175.851 176.300 0.111 0.000 1.172 164 D CA 0.419 54.472 54.000 0.088 0.000 1.001 164 D CB -0.642 40.194 40.800 0.061 0.000 0.641 164 D HN 0.531 nan 8.370 nan 0.000 0.296 165 S N 3.014 118.793 115.700 0.132 0.000 2.547 165 S HA -0.066 4.412 4.470 0.012 0.000 0.235 165 S C 1.574 176.314 174.600 0.233 0.000 0.980 165 S CA 0.534 58.843 58.200 0.182 0.000 0.941 165 S CB 0.267 63.534 63.200 0.112 0.000 0.763 165 S HN 0.440 nan 8.310 nan 0.000 0.532 166 R N 0.049 120.645 120.500 0.159 0.000 2.508 166 R HA 0.441 4.789 4.340 0.012 0.000 0.300 166 R C -0.285 176.076 176.300 0.102 0.000 0.970 166 R CA 0.063 56.258 56.100 0.157 0.000 1.102 166 R CB 0.167 30.578 30.300 0.185 0.000 1.246 166 R HN 0.327 nan 8.270 nan 0.000 0.539 167 L N 1.369 122.624 121.223 0.054 0.000 2.350 167 L HA 0.527 4.875 4.340 0.012 0.000 0.260 167 L C -2.370 174.480 176.870 -0.033 0.000 1.015 167 L CA -2.294 52.547 54.840 0.001 0.000 0.821 167 L CB 2.918 44.970 42.059 -0.013 0.000 1.370 167 L HN -0.208 nan 8.230 nan 0.000 0.416 168 P HA 0.117 nan 4.420 nan 0.000 0.275 168 P C -1.043 176.217 177.300 -0.067 0.000 1.227 168 P CA -0.230 62.822 63.100 -0.080 0.000 0.781 168 P CB 1.217 32.833 31.700 -0.140 0.000 0.906 169 S N 1.891 117.605 115.700 0.023 0.000 2.498 169 S HA 0.318 4.796 4.470 0.012 0.000 0.317 169 S C -0.449 174.086 174.600 -0.108 0.000 1.090 169 S CA -0.590 57.580 58.200 -0.049 0.000 1.089 169 S CB 0.908 64.251 63.200 0.237 0.000 0.997 169 S HN 0.371 nan 8.310 nan 0.000 0.470 170 E N 2.052 121.998 120.200 -0.423 0.000 2.222 170 E HA 0.555 4.912 4.350 0.012 0.000 0.267 170 E C -1.427 174.793 176.600 -0.633 0.000 0.884 170 E CA -0.555 55.672 56.400 -0.287 0.000 0.764 170 E CB 1.775 31.413 29.700 -0.103 0.000 1.169 170 E HN 0.412 nan 8.360 nan 0.000 0.413 171 F N 0.690 120.694 119.950 0.090 0.000 2.565 171 F HA 0.197 4.731 4.527 0.013 0.000 0.313 171 F C 0.048 175.875 175.800 0.044 0.000 1.091 171 F CA -1.069 56.949 58.000 0.029 0.000 0.915 171 F CB 1.684 40.674 39.000 -0.017 0.000 1.208 171 F HN 0.292 nan 8.300 nan 0.000 0.453 172 D N 3.095 123.627 120.400 0.221 0.000 2.325 172 D HA 0.219 4.867 4.640 0.012 0.000 0.251 172 D C 0.289 176.738 176.300 0.248 0.000 1.196 172 D CA 0.258 54.371 54.000 0.188 0.000 0.866 172 D CB 1.005 41.896 40.800 0.152 0.000 1.101 172 D HN 0.562 nan 8.370 nan 0.000 0.476 173 L N 2.835 124.206 121.223 0.247 0.000 2.667 173 L HA 0.028 4.376 4.340 0.012 0.000 0.232 173 L C 2.110 179.211 176.870 0.384 0.000 1.138 173 L CA -0.174 54.859 54.840 0.322 0.000 0.921 173 L CB 0.050 42.256 42.059 0.244 0.000 1.180 173 L HN 0.279 nan 8.230 nan 0.000 0.487 174 S N 1.415 117.281 115.700 0.277 0.000 2.378 174 S HA -0.288 4.189 4.470 0.012 0.000 0.229 174 S C 2.019 176.722 174.600 0.171 0.000 1.052 174 S CA 1.901 60.221 58.200 0.200 0.000 1.084 174 S CB -0.181 63.095 63.200 0.126 0.000 0.950 174 S HN 0.571 nan 8.310 nan 0.000 0.440 175 A N -0.653 122.248 122.820 0.136 0.000 2.238 175 A HA 0.318 4.645 4.320 0.012 0.000 0.208 175 A C 1.273 178.773 177.584 -0.140 0.000 1.177 175 A CA 0.351 52.359 52.037 -0.049 0.000 0.804 175 A CB -0.460 18.414 19.000 -0.210 0.000 0.823 175 A HN 0.487 nan 8.150 nan 0.000 0.482 176 F N -0.890 119.102 119.950 0.069 0.000 2.717 176 F HA 0.369 4.903 4.527 0.012 0.000 0.297 176 F C 0.675 176.511 175.800 0.059 0.000 1.113 176 F CA -0.117 57.922 58.000 0.065 0.000 1.319 176 F CB 0.164 39.209 39.000 0.075 0.000 1.097 176 F HN -0.016 nan 8.300 nan 0.000 0.595 177 L N 0.714 122.087 121.223 0.251 0.000 2.431 177 L HA 0.567 4.914 4.340 0.012 0.000 0.260 177 L C 0.092 177.005 176.870 0.071 0.000 1.098 177 L CA -0.830 54.098 54.840 0.147 0.000 0.800 177 L CB 1.235 43.391 42.059 0.162 0.000 1.210 177 L HN -0.001 nan 8.230 nan 0.000 0.465 178 R N 0.540 121.044 120.500 0.008 0.000 2.799 178 R HA 0.797 5.144 4.340 0.012 0.000 0.270 178 R C -1.135 175.143 176.300 -0.037 0.000 1.010 178 R CA -0.922 55.175 56.100 -0.005 0.000 0.916 178 R CB 1.446 31.736 30.300 -0.018 0.000 1.228 178 R HN 0.548 nan 8.270 nan 0.000 0.469 179 A N 1.115 123.921 122.820 -0.023 0.000 2.531 179 A HA 0.459 4.786 4.320 0.012 0.000 0.236 179 A C 1.101 178.636 177.584 -0.081 0.000 1.062 179 A CA 1.189 53.201 52.037 -0.041 0.000 0.760 179 A CB -0.853 18.134 19.000 -0.021 0.000 0.995 179 A HN 1.437 nan 8.150 nan 0.000 0.501 180 G N 1.615 110.349 108.800 -0.110 0.000 2.503 180 G HA2 -0.163 3.805 3.960 0.012 0.000 0.235 180 G HA3 -0.163 3.805 3.960 0.012 0.000 0.235 180 G C -0.221 174.553 174.900 -0.210 0.000 1.179 180 G CA 0.134 45.154 45.100 -0.133 0.000 0.944 180 G HN 1.022 nan 8.290 nan 0.000 0.580 181 E N 1.634 121.717 120.200 -0.195 0.000 2.360 181 E HA 0.414 4.772 4.350 0.012 0.000 0.269 181 E C -0.029 176.374 176.600 -0.329 0.000 1.022 181 E CA -0.031 56.213 56.400 -0.260 0.000 0.887 181 E CB 0.503 30.100 29.700 -0.172 0.000 0.990 181 E HN 0.420 nan 8.360 nan 0.000 0.426 182 N N 2.174 120.537 118.700 -0.561 0.000 2.357 182 N HA 0.367 5.114 4.740 0.012 0.000 0.284 182 N C -1.109 174.148 175.510 -0.421 0.000 1.236 182 N CA -0.726 51.996 53.050 -0.546 0.000 0.774 182 N CB 2.465 40.432 38.487 -0.866 0.000 1.534 182 N HN 0.314 nan 8.380 nan 0.000 0.478 183 R N 1.667 122.094 120.500 -0.121 0.000 2.513 183 R HA 0.507 4.854 4.340 0.012 0.000 0.301 183 R C -1.227 175.146 176.300 0.122 0.000 0.968 183 R CA -0.503 55.607 56.100 0.017 0.000 0.872 183 R CB 0.992 31.260 30.300 -0.052 0.000 1.177 183 R HN 0.471 nan 8.270 nan 0.000 0.444 184 L N 2.977 124.309 121.223 0.182 0.000 2.360 184 L HA 0.767 5.115 4.340 0.012 0.000 0.271 184 L C -0.212 176.696 176.870 0.064 0.000 1.057 184 L CA -1.018 53.915 54.840 0.154 0.000 0.803 184 L CB 1.887 44.034 42.059 0.146 0.000 1.207 184 L HN 0.796 nan 8.230 nan 0.000 0.445 185 A N 2.509 125.374 122.820 0.075 0.000 2.353 185 A HA 0.736 5.063 4.320 0.012 0.000 0.299 185 A C -1.089 176.712 177.584 0.362 0.000 1.089 185 A CA -0.438 51.534 52.037 -0.108 0.000 0.736 185 A CB 1.528 19.981 19.000 -0.911 0.000 1.195 185 A HN 0.364 nan 8.150 nan 0.000 0.447 186 V N 3.269 123.566 119.914 0.639 0.000 2.483 186 V HA 0.496 4.624 4.120 0.012 0.000 0.297 186 V C -0.120 176.483 176.094 0.849 0.000 1.027 186 V CA -0.303 62.380 62.300 0.637 0.000 0.855 186 V CB 1.557 33.573 31.823 0.322 0.000 0.995 186 V HN 0.964 nan 8.190 nan 0.000 0.424 187 M N 6.011 126.133 119.600 0.870 0.000 2.066 187 M HA 0.577 5.065 4.480 0.012 0.000 0.340 187 M C -1.486 175.071 176.300 0.428 0.000 1.053 187 M CA -0.374 55.292 55.300 0.609 0.000 0.983 187 M CB 1.127 34.141 32.600 0.690 0.000 1.520 187 M HN 0.479 nan 8.290 nan 0.000 0.428 188 V N 6.762 126.883 119.914 0.344 0.000 2.394 188 V HA 0.383 4.510 4.120 0.012 0.000 0.282 188 V C -0.103 176.144 176.094 0.255 0.000 1.031 188 V CA -0.671 61.832 62.300 0.338 0.000 0.881 188 V CB 1.423 33.531 31.823 0.476 0.000 0.982 188 V HN 0.801 nan 8.190 nan 0.000 0.451 189 L N 5.042 126.351 121.223 0.143 0.000 2.292 189 L HA 0.497 4.845 4.340 0.012 0.000 0.284 189 L C 1.588 178.476 176.870 0.030 0.000 1.065 189 L CA -0.293 54.559 54.840 0.020 0.000 0.806 189 L CB 1.006 42.986 42.059 -0.131 0.000 1.175 189 L HN 0.651 nan 8.230 nan 0.000 0.431 190 R N 2.944 123.412 120.500 -0.054 0.000 2.075 190 R HA -0.050 4.297 4.340 0.012 0.000 0.232 190 R C -0.330 175.642 176.300 -0.545 0.000 1.126 190 R CA 1.159 56.991 56.100 -0.448 0.000 0.963 190 R CB 0.209 30.112 30.300 -0.661 0.000 0.858 190 R HN 0.568 nan 8.270 nan 0.000 0.435 191 W N 0.387 121.754 121.300 0.112 0.000 2.606 191 W HA 0.416 5.083 4.660 0.012 0.000 0.332 191 W C -0.316 176.325 176.519 0.202 0.000 1.052 191 W CA -0.810 56.609 57.345 0.124 0.000 1.223 191 W CB 1.800 31.336 29.460 0.126 0.000 1.383 191 W HN 0.038 nan 8.180 nan 0.000 0.524 192 S N -1.051 114.939 115.700 0.483 0.000 2.727 192 S HA 0.203 4.680 4.470 0.012 0.000 0.278 192 S C 0.113 174.980 174.600 0.445 0.000 1.186 192 S CA -0.432 58.072 58.200 0.506 0.000 0.836 192 S CB 1.142 64.610 63.200 0.446 0.000 1.186 192 S HN 0.622 nan 8.310 nan 0.000 0.499 193 D N 0.319 120.980 120.400 0.436 0.000 2.263 193 D HA 0.071 4.719 4.640 0.012 0.000 0.208 193 D C 1.736 178.350 176.300 0.522 0.000 0.971 193 D CA 1.170 55.468 54.000 0.496 0.000 0.867 193 D CB -0.694 40.273 40.800 0.278 0.000 0.929 193 D HN 0.696 nan 8.370 nan 0.000 0.492 194 G N 0.045 109.071 108.800 0.377 0.000 2.471 194 G HA2 -0.240 3.727 3.960 0.012 0.000 0.219 194 G HA3 -0.240 3.727 3.960 0.012 0.000 0.219 194 G C 1.694 176.789 174.900 0.324 0.000 1.125 194 G CA 0.636 45.935 45.100 0.331 0.000 0.775 194 G HN 0.302 nan 8.290 nan 0.000 0.548 195 S N -0.002 115.878 115.700 0.300 0.000 2.400 195 S HA -0.122 4.355 4.470 0.012 0.000 0.232 195 S C 1.895 176.605 174.600 0.183 0.000 1.025 195 S CA 0.808 59.151 58.200 0.240 0.000 0.993 195 S CB -0.407 62.937 63.200 0.239 0.000 0.808 195 S HN 0.556 nan 8.310 nan 0.000 0.478 196 Y N 1.101 121.535 120.300 0.222 0.000 2.497 196 Y HA 0.085 4.643 4.550 0.012 0.000 0.292 196 Y C 1.582 177.600 175.900 0.197 0.000 1.137 196 Y CA 0.610 58.764 58.100 0.090 0.000 1.285 196 Y CB -0.200 38.153 38.460 -0.179 0.000 0.991 196 Y HN 0.199 nan 8.280 nan 0.000 0.556 197 L N -0.285 121.146 121.223 0.346 0.000 2.667 197 L HA 0.128 4.475 4.340 0.012 0.000 0.232 197 L C 0.065 177.081 176.870 0.242 0.000 1.138 197 L CA 0.412 55.409 54.840 0.261 0.000 0.921 197 L CB 0.065 42.282 42.059 0.264 0.000 1.180 197 L HN 0.148 nan 8.230 nan 0.000 0.487 198 E N -0.067 120.287 120.200 0.258 0.000 3.646 198 E HA 0.032 4.390 4.350 0.012 0.000 0.211 198 E C -0.437 176.275 176.600 0.186 0.000 1.034 198 E CA -0.072 56.463 56.400 0.223 0.000 1.341 198 E CB 0.474 30.297 29.700 0.205 0.000 1.202 198 E HN 0.044 nan 8.360 nan 0.000 0.447 199 D N 1.084 121.553 120.400 0.115 0.000 2.690 199 D HA 0.021 4.668 4.640 0.012 0.000 0.236 199 D C -0.155 176.144 176.300 -0.002 0.000 1.218 199 D CA -0.053 53.903 54.000 -0.073 0.000 0.829 199 D CB 0.156 40.655 40.800 -0.502 0.000 1.009 199 D HN 0.055 nan 8.370 nan 0.000 0.482 200 Q N 0.352 120.241 119.800 0.150 0.000 2.421 200 Q HA 0.127 4.474 4.340 0.012 0.000 0.255 200 Q C -0.140 175.981 176.000 0.202 0.000 1.013 200 Q CA 0.014 55.969 55.803 0.253 0.000 0.895 200 Q CB 0.636 29.677 28.738 0.506 0.000 1.271 200 Q HN 0.061 nan 8.270 nan 0.000 0.460 201 D N 2.797 123.339 120.400 0.236 0.000 2.489 201 D HA 0.160 4.807 4.640 0.012 0.000 0.237 201 D C -0.796 175.650 176.300 0.242 0.000 1.212 201 D CA 0.171 54.286 54.000 0.192 0.000 1.058 201 D CB -0.450 40.448 40.800 0.164 0.000 1.098 201 D HN 0.486 nan 8.370 nan 0.000 0.509 202 M N 0.183 119.897 119.600 0.190 0.000 3.084 202 M HA 0.398 4.886 4.480 0.012 0.000 0.273 202 M C -1.265 175.123 176.300 0.148 0.000 1.242 202 M CA -1.160 54.179 55.300 0.064 0.000 0.819 202 M CB 1.056 33.617 32.600 -0.064 0.000 1.625 202 M HN -0.096 nan 8.290 nan 0.000 0.493 203 W N 1.821 123.202 121.300 0.136 0.000 2.193 203 W HA 0.325 4.992 4.660 0.012 0.000 0.338 203 W C 0.297 176.844 176.519 0.046 0.000 1.310 203 W CA -0.069 57.356 57.345 0.133 0.000 1.243 203 W CB 0.351 29.829 29.460 0.029 0.000 1.165 203 W HN 0.286 nan 8.180 nan 0.000 0.566 204 R N 4.488 125.179 120.500 0.320 0.000 2.204 204 R HA 0.389 4.737 4.340 0.012 0.000 0.341 204 R C -0.149 176.165 176.300 0.024 0.000 1.035 204 R CA -0.168 56.036 56.100 0.173 0.000 0.887 204 R CB 0.077 30.553 30.300 0.295 0.000 1.114 204 R HN 0.553 nan 8.270 nan 0.000 0.473 205 M N 0.235 119.737 119.600 -0.163 0.000 2.792 205 M HA 0.526 5.013 4.480 0.012 0.000 0.290 205 M C -0.003 175.949 176.300 -0.581 0.000 1.155 205 M CA -0.827 54.251 55.300 -0.370 0.000 0.781 205 M CB 2.177 34.555 32.600 -0.370 0.000 1.741 205 M HN 0.607 nan 8.290 nan 0.000 0.473 206 S N -1.210 114.012 115.700 -0.797 0.000 2.587 206 S HA 0.936 5.413 4.470 0.012 0.000 0.269 206 S C -0.647 173.452 174.600 -0.836 0.000 1.154 206 S CA -0.212 57.439 58.200 -0.914 0.000 0.824 206 S CB 1.766 64.241 63.200 -1.208 0.000 1.118 206 S HN 1.456 nan 8.310 nan 0.000 0.462 207 G N -0.031 108.548 108.800 -0.369 0.000 2.343 207 G HA2 0.191 4.158 3.960 0.012 0.000 0.465 207 G HA3 0.191 4.158 3.960 0.012 0.000 0.465 207 G C -1.428 173.495 174.900 0.038 0.000 1.282 207 G CA -0.654 44.526 45.100 0.132 0.000 0.996 207 G HN 1.131 nan 8.290 nan 0.000 0.521 208 I N 2.066 122.496 120.570 -0.234 0.000 2.241 208 I HA 0.264 4.442 4.170 0.012 0.000 0.294 208 I C 1.137 177.121 176.117 -0.221 0.000 1.145 208 I CA -0.167 60.892 61.300 -0.401 0.000 1.261 208 I CB -0.253 37.234 38.000 -0.855 0.000 1.475 208 I HN 0.508 nan 8.210 nan 0.000 0.533 209 F N 4.234 124.037 119.950 -0.246 0.000 2.695 209 F HA 0.457 4.991 4.527 0.012 0.000 0.303 209 F C 0.691 176.412 175.800 -0.132 0.000 1.091 209 F CA -0.577 57.312 58.000 -0.185 0.000 1.300 209 F CB 0.117 39.012 39.000 -0.175 0.000 1.071 209 F HN 0.119 nan 8.300 nan 0.000 0.578 210 R N 0.390 120.418 120.500 -0.786 0.000 2.939 210 R HA 0.260 4.608 4.340 0.012 0.000 0.254 210 R C -0.757 175.324 176.300 -0.365 0.000 1.123 210 R CA -1.193 54.574 56.100 -0.555 0.000 1.020 210 R CB 0.609 30.515 30.300 -0.657 0.000 1.206 210 R HN -0.043 nan 8.270 nan 0.000 0.491 211 D N 0.664 120.892 120.400 -0.286 0.000 2.419 211 D HA 0.113 4.760 4.640 0.012 0.000 0.236 211 D C -0.534 175.621 176.300 -0.242 0.000 1.165 211 D CA 0.386 54.261 54.000 -0.209 0.000 0.882 211 D CB 0.741 41.447 40.800 -0.157 0.000 1.201 211 D HN -0.008 nan 8.370 nan 0.000 0.443 212 V N 1.117 120.899 119.914 -0.220 0.000 2.540 212 V HA 0.568 4.695 4.120 0.012 0.000 0.302 212 V C 0.075 176.041 176.094 -0.214 0.000 1.035 212 V CA -0.564 61.545 62.300 -0.318 0.000 0.873 212 V CB 1.600 33.235 31.823 -0.314 0.000 0.992 212 V HN 0.749 nan 8.190 nan 0.000 0.428 213 S N 4.528 120.082 115.700 -0.244 0.000 2.651 213 S HA 0.882 5.359 4.470 0.012 0.000 0.279 213 S C -1.466 173.077 174.600 -0.095 0.000 1.148 213 S CA -0.847 57.279 58.200 -0.123 0.000 0.837 213 S CB 2.180 65.343 63.200 -0.061 0.000 1.138 213 S HN 0.457 nan 8.310 nan 0.000 0.478 214 L N 1.325 122.558 121.223 0.016 0.000 2.362 214 L HA 0.778 5.125 4.340 0.012 0.000 0.275 214 L C -1.485 175.572 176.870 0.311 0.000 0.998 214 L CA -0.720 54.206 54.840 0.144 0.000 0.820 214 L CB 1.627 43.774 42.059 0.146 0.000 1.270 214 L HN 0.845 nan 8.230 nan 0.000 0.415 215 L N 4.359 125.741 121.223 0.265 0.000 2.362 215 L HA 0.492 4.839 4.340 0.012 0.000 0.275 215 L C -1.067 175.818 176.870 0.024 0.000 0.998 215 L CA -0.201 54.730 54.840 0.152 0.000 0.820 215 L CB 1.292 43.399 42.059 0.081 0.000 1.270 215 L HN 0.612 nan 8.230 nan 0.000 0.415 216 H N 5.308 124.146 119.070 -0.387 0.000 2.488 216 H HA 0.467 5.031 4.556 0.012 0.000 0.322 216 H C -1.192 173.927 175.328 -0.349 0.000 1.078 216 H CA -0.476 55.221 56.048 -0.585 0.000 1.260 216 H CB 1.098 29.995 29.762 -1.441 0.000 1.425 216 H HN 0.520 nan 8.280 nan 0.000 0.471 217 K N 5.240 125.268 120.400 -0.621 0.000 2.340 217 K HA 0.395 4.722 4.320 0.012 0.000 0.244 217 K C -2.663 173.705 176.600 -0.386 0.000 0.973 217 K CA -2.051 54.023 56.287 -0.356 0.000 0.828 217 K CB 2.057 34.410 32.500 -0.245 0.000 1.226 217 K HN 0.484 nan 8.250 nan 0.000 0.437 218 P HA 0.167 nan 4.420 nan 0.000 0.274 218 P C 0.507 177.740 177.300 -0.112 0.000 1.246 218 P CA -0.180 62.860 63.100 -0.100 0.000 0.795 218 P CB 0.458 32.133 31.700 -0.043 0.000 1.006 219 T N -0.987 113.527 114.554 -0.068 0.000 2.720 219 T HA -0.064 4.294 4.350 0.012 0.000 0.268 219 T C 0.623 175.289 174.700 -0.058 0.000 1.037 219 T CA 1.653 63.719 62.100 -0.057 0.000 1.144 219 T CB -0.630 68.222 68.868 -0.026 0.000 0.864 219 T HN 0.428 nan 8.240 nan 0.000 0.444 220 T N 3.697 118.222 114.554 -0.047 0.000 2.738 220 T HA 0.450 4.808 4.350 0.012 0.000 0.298 220 T C -0.220 174.439 174.700 -0.068 0.000 0.962 220 T CA -0.605 61.459 62.100 -0.061 0.000 0.972 220 T CB 0.602 69.451 68.868 -0.031 0.000 0.928 220 T HN 0.479 nan 8.240 nan 0.000 0.474 221 Q N 2.534 122.279 119.800 -0.092 0.000 2.565 221 Q HA 0.589 4.936 4.340 0.012 0.000 0.294 221 Q C -1.289 174.652 176.000 -0.099 0.000 1.005 221 Q CA -1.154 54.586 55.803 -0.106 0.000 0.771 221 Q CB 1.320 29.977 28.738 -0.135 0.000 1.486 221 Q HN 0.454 nan 8.270 nan 0.000 0.422 222 I N 2.667 123.154 120.570 -0.139 0.000 2.379 222 I HA 0.030 4.207 4.170 0.012 0.000 0.290 222 I C 0.811 176.852 176.117 -0.127 0.000 1.063 222 I CA 0.011 61.252 61.300 -0.099 0.000 1.351 222 I CB 1.107 38.999 38.000 -0.180 0.000 1.410 222 I HN 0.872 nan 8.210 nan 0.000 0.505 223 S N 2.798 118.538 115.700 0.066 0.000 2.503 223 S HA 0.179 4.656 4.470 0.012 0.000 0.215 223 S C 0.209 175.037 174.600 0.379 0.000 1.003 223 S CA -0.213 58.098 58.200 0.185 0.000 0.910 223 S CB 0.250 63.508 63.200 0.097 0.000 0.790 223 S HN 0.714 nan 8.310 nan 0.000 0.514 224 D N -0.336 120.294 120.400 0.383 0.000 2.728 224 D HA 0.489 5.137 4.640 0.012 0.000 0.249 224 D C -1.869 174.649 176.300 0.363 0.000 1.225 224 D CA -0.732 53.495 54.000 0.378 0.000 0.748 224 D CB 1.411 42.323 40.800 0.187 0.000 1.326 224 D HN 0.214 nan 8.370 nan 0.000 0.426 225 F N -0.671 119.400 119.950 0.202 0.000 2.650 225 F HA 0.624 5.159 4.527 0.012 0.000 0.310 225 F C -1.457 174.475 175.800 0.220 0.000 1.112 225 F CA -0.816 57.226 58.000 0.071 0.000 0.986 225 F CB 1.392 40.447 39.000 0.091 0.000 1.285 225 F HN 0.241 nan 8.300 nan 0.000 0.440 226 H N 1.637 120.776 119.070 0.114 0.000 2.589 226 H HA 0.714 5.277 4.556 0.012 0.000 0.351 226 H C -1.363 174.002 175.328 0.061 0.000 1.074 226 H CA -1.466 54.578 56.048 -0.006 0.000 1.203 226 H CB 2.696 32.442 29.762 -0.027 0.000 1.558 226 H HN 0.594 nan 8.280 nan 0.000 0.522 227 V N 2.437 122.442 119.914 0.152 0.000 2.417 227 V HA 0.620 4.748 4.120 0.012 0.000 0.291 227 V C -0.134 175.952 176.094 -0.012 0.000 1.024 227 V CA -0.525 61.822 62.300 0.077 0.000 0.861 227 V CB 1.221 33.091 31.823 0.077 0.000 0.985 227 V HN 0.914 nan 8.190 nan 0.000 0.436 228 A N 3.438 126.229 122.820 -0.047 0.000 2.380 228 A HA 0.960 5.287 4.320 0.012 0.000 0.315 228 A C -0.087 177.393 177.584 -0.172 0.000 1.101 228 A CA -0.523 51.465 52.037 -0.081 0.000 0.771 228 A CB 1.914 20.888 19.000 -0.042 0.000 1.287 228 A HN 0.916 nan 8.150 nan 0.000 0.436 229 T N -0.166 114.268 114.554 -0.201 0.000 2.890 229 T HA 0.712 5.070 4.350 0.012 0.000 0.295 229 T C -0.556 173.925 174.700 -0.366 0.000 0.993 229 T CA -0.652 61.234 62.100 -0.356 0.000 0.979 229 T CB 0.854 69.408 68.868 -0.522 0.000 0.967 229 T HN 0.689 nan 8.240 nan 0.000 0.441 230 R N 1.943 122.158 120.500 -0.476 0.000 2.778 230 R HA 0.817 5.164 4.340 0.012 0.000 0.277 230 R C -1.128 174.762 176.300 -0.682 0.000 0.977 230 R CA -0.750 55.139 56.100 -0.352 0.000 0.950 230 R CB 1.552 31.763 30.300 -0.147 0.000 1.165 230 R HN 0.549 nan 8.270 nan 0.000 0.474 231 F N 0.260 120.185 119.950 -0.041 0.000 2.611 231 F HA 0.375 4.908 4.527 0.011 0.000 0.324 231 F C 0.497 176.155 175.800 -0.238 0.000 1.061 231 F CA -1.114 56.797 58.000 -0.147 0.000 0.954 231 F CB 1.050 39.835 39.000 -0.359 0.000 1.301 231 F HN 0.539 nan 8.300 nan 0.000 0.482 232 N N -0.050 118.625 118.700 -0.041 0.000 2.364 232 N HA 0.058 4.805 4.740 0.012 0.000 0.264 232 N C 0.480 175.845 175.510 -0.241 0.000 1.263 232 N CA -0.143 52.848 53.050 -0.099 0.000 0.959 232 N CB 0.055 38.512 38.487 -0.050 0.000 1.204 232 N HN 0.672 nan 8.380 nan 0.000 0.550 233 D N -1.232 119.077 120.400 -0.151 0.000 2.158 233 D HA -0.243 4.404 4.640 0.012 0.000 0.197 233 D C 0.226 176.452 176.300 -0.125 0.000 0.995 233 D CA 1.649 55.567 54.000 -0.137 0.000 0.846 233 D CB -0.555 40.222 40.800 -0.038 0.000 0.941 233 D HN 0.736 nan 8.370 nan 0.000 0.456 234 D N -1.833 118.536 120.400 -0.051 0.000 2.462 234 D HA 0.055 4.702 4.640 0.012 0.000 0.221 234 D C 0.088 176.544 176.300 0.260 0.000 1.173 234 D CA -0.960 53.122 54.000 0.136 0.000 0.831 234 D CB -1.000 39.873 40.800 0.122 0.000 1.001 234 D HN 0.214 nan 8.370 nan 0.000 0.499 235 F N 0.228 120.236 119.950 0.097 0.000 2.953 235 F HA -0.299 4.235 4.527 0.012 0.000 0.292 235 F C 1.658 177.538 175.800 0.133 0.000 0.747 235 F CA 0.825 58.891 58.000 0.110 0.000 1.222 235 F CB -2.462 36.497 39.000 -0.069 0.000 1.457 235 F HN 0.209 nan 8.300 nan 0.000 0.383 236 S N -1.220 114.589 115.700 0.182 0.000 2.528 236 S HA 0.283 4.760 4.470 0.012 0.000 0.219 236 S C 0.651 175.309 174.600 0.096 0.000 0.985 236 S CA 0.075 58.352 58.200 0.129 0.000 0.914 236 S CB 0.392 63.641 63.200 0.082 0.000 0.776 236 S HN 0.467 nan 8.310 nan 0.000 0.526 237 R N 0.024 120.585 120.500 0.103 0.000 2.698 237 R HA 0.808 5.155 4.340 0.012 0.000 0.275 237 R C -1.268 175.059 176.300 0.045 0.000 1.001 237 R CA -0.274 55.852 56.100 0.043 0.000 0.896 237 R CB 2.254 32.555 30.300 0.001 0.000 1.218 237 R HN 0.254 nan 8.270 nan 0.000 0.462 238 A N 1.441 124.228 122.820 -0.055 0.000 2.527 238 A HA 0.784 5.112 4.320 0.012 0.000 0.293 238 A C -1.408 176.089 177.584 -0.145 0.000 1.117 238 A CA -0.663 51.248 52.037 -0.210 0.000 0.723 238 A CB 2.037 20.912 19.000 -0.209 0.000 1.313 238 A HN 0.334 nan 8.150 nan 0.000 0.411 239 V N 1.134 120.937 119.914 -0.185 0.000 2.531 239 V HA 0.456 4.583 4.120 0.012 0.000 0.301 239 V C -0.658 175.370 176.094 -0.110 0.000 1.034 239 V CA -0.355 61.880 62.300 -0.109 0.000 0.865 239 V CB 1.445 33.205 31.823 -0.106 0.000 0.995 239 V HN 0.809 nan 8.190 nan 0.000 0.424 240 L N 5.006 126.203 121.223 -0.044 0.000 2.275 240 L HA 0.600 4.947 4.340 0.012 0.000 0.288 240 L C -0.112 176.713 176.870 -0.074 0.000 1.046 240 L CA 0.113 54.901 54.840 -0.087 0.000 0.805 240 L CB 0.872 42.912 42.059 -0.031 0.000 1.193 240 L HN 0.654 nan 8.230 nan 0.000 0.426 241 E N 4.762 124.914 120.200 -0.080 0.000 2.176 241 E HA 0.618 4.976 4.350 0.012 0.000 0.267 241 E C -1.137 175.449 176.600 -0.025 0.000 0.893 241 E CA -0.833 55.536 56.400 -0.050 0.000 0.761 241 E CB 2.074 31.746 29.700 -0.046 0.000 1.133 241 E HN 0.682 nan 8.360 nan 0.000 0.409 242 A N 3.441 126.254 122.820 -0.012 0.000 2.319 242 A HA 0.310 4.637 4.320 0.012 0.000 0.310 242 A C -0.554 177.032 177.584 0.002 0.000 1.152 242 A CA -0.649 51.406 52.037 0.029 0.000 0.783 242 A CB 0.992 20.011 19.000 0.030 0.000 1.184 242 A HN 0.673 nan 8.150 nan 0.000 0.474 243 E N 2.508 122.707 120.200 -0.001 0.000 2.174 243 E HA 0.549 4.906 4.350 0.012 0.000 0.282 243 E C -1.347 175.209 176.600 -0.075 0.000 0.992 243 E CA -0.373 55.980 56.400 -0.079 0.000 0.803 243 E CB 1.169 30.775 29.700 -0.157 0.000 1.090 243 E HN 0.381 nan 8.360 nan 0.000 0.396 244 V N 4.811 124.695 119.914 -0.050 0.000 2.540 244 V HA 0.282 4.410 4.120 0.012 0.000 0.302 244 V C -0.465 175.693 176.094 0.106 0.000 1.035 244 V CA -0.801 61.522 62.300 0.038 0.000 0.873 244 V CB 1.691 33.519 31.823 0.008 0.000 0.992 244 V HN 0.742 nan 8.190 nan 0.000 0.428 245 Q N 4.246 124.124 119.800 0.129 0.000 2.306 245 Q HA 0.849 5.196 4.340 0.012 0.000 0.265 245 Q C -0.871 175.220 176.000 0.152 0.000 1.022 245 Q CA -0.894 54.995 55.803 0.144 0.000 0.853 245 Q CB 2.640 31.395 28.738 0.028 0.000 1.327 245 Q HN 0.802 nan 8.270 nan 0.000 0.449 246 M N -0.938 118.687 119.600 0.041 0.000 2.690 246 M HA 0.755 5.242 4.480 0.012 0.000 0.302 246 M C -1.272 174.956 176.300 -0.120 0.000 1.234 246 M CA -0.547 54.693 55.300 -0.100 0.000 0.853 246 M CB 1.587 33.929 32.600 -0.429 0.000 1.748 246 M HN 0.519 nan 8.290 nan 0.000 0.469 247 C N 0.552 119.787 119.300 -0.108 0.000 2.707 247 C HA 1.023 5.490 4.460 0.012 0.000 0.313 247 C C 0.758 175.683 174.990 -0.109 0.000 1.209 247 C CA 0.724 59.693 59.018 -0.083 0.000 1.635 247 C CB 1.057 28.773 27.740 -0.039 0.000 2.206 247 C HN 1.372 nan 8.230 nan 0.000 0.485 248 G N 1.560 110.305 108.800 -0.092 0.000 2.384 248 G HA2 -0.077 3.891 3.960 0.012 0.000 0.200 248 G HA3 -0.077 3.891 3.960 0.012 0.000 0.200 248 G C -0.682 174.158 174.900 -0.099 0.000 1.205 248 G CA -0.396 44.654 45.100 -0.085 0.000 1.116 248 G HN 0.856 nan 8.290 nan 0.000 0.547 249 E N 0.838 120.986 120.200 -0.086 0.000 1.944 249 E HA 0.373 4.730 4.350 0.012 0.000 0.272 249 E C 0.166 176.672 176.600 -0.157 0.000 1.195 249 E CA -0.311 56.040 56.400 -0.081 0.000 0.926 249 E CB -0.043 29.649 29.700 -0.015 0.000 1.051 249 E HN 0.396 nan 8.360 nan 0.000 0.404 250 L N 5.711 126.821 121.223 -0.188 0.000 2.278 250 L HA 0.302 4.649 4.340 0.012 0.000 0.287 250 L C -0.266 176.444 176.870 -0.267 0.000 1.072 250 L CA -0.076 54.606 54.840 -0.264 0.000 0.819 250 L CB 0.117 42.045 42.059 -0.219 0.000 1.176 250 L HN 0.461 nan 8.230 nan 0.000 0.435 251 R N 2.602 122.854 120.500 -0.413 0.000 2.740 251 R HA 0.197 4.545 4.340 0.012 0.000 0.273 251 R C -0.113 175.864 176.300 -0.537 0.000 0.998 251 R CA -0.818 54.963 56.100 -0.532 0.000 0.900 251 R CB 1.389 31.053 30.300 -1.061 0.000 1.223 251 R HN 0.487 nan 8.270 nan 0.000 0.466 252 D N 0.877 121.083 120.400 -0.323 0.000 2.265 252 D HA -0.147 4.500 4.640 0.012 0.000 0.208 252 D C 1.487 177.717 176.300 -0.116 0.000 0.977 252 D CA 1.579 55.488 54.000 -0.153 0.000 0.871 252 D CB 0.105 40.877 40.800 -0.047 0.000 0.925 252 D HN 0.547 nan 8.370 nan 0.000 0.485 253 Y N -0.390 119.919 120.300 0.016 0.000 2.546 253 Y HA 0.266 4.824 4.550 0.013 0.000 0.287 253 Y C 0.778 176.684 175.900 0.011 0.000 1.158 253 Y CA -0.446 57.662 58.100 0.014 0.000 1.307 253 Y CB -0.878 37.589 38.460 0.012 0.000 1.036 253 Y HN -0.189 nan 8.280 nan 0.000 0.532 254 L N 2.372 123.536 121.223 -0.098 0.000 2.436 254 L HA 0.370 4.718 4.340 0.012 0.000 0.265 254 L C 0.192 177.095 176.870 0.056 0.000 1.168 254 L CA -0.306 54.578 54.840 0.074 0.000 0.815 254 L CB 0.582 42.656 42.059 0.026 0.000 1.109 254 L HN 0.141 nan 8.230 nan 0.000 0.462 255 R N 1.374 121.806 120.500 -0.114 0.000 2.764 255 R HA 0.668 5.015 4.340 0.012 0.000 0.270 255 R C -1.567 174.469 176.300 -0.440 0.000 1.014 255 R CA -0.789 55.108 56.100 -0.338 0.000 0.904 255 R CB 2.070 32.029 30.300 -0.568 0.000 1.236 255 R HN 0.263 nan 8.270 nan 0.000 0.466 256 V N 0.750 120.426 119.914 -0.396 0.000 2.656 256 V HA 0.519 4.646 4.120 0.012 0.000 0.307 256 V C -0.385 175.680 176.094 -0.050 0.000 1.051 256 V CA -0.535 61.627 62.300 -0.231 0.000 0.893 256 V CB 2.329 33.957 31.823 -0.325 0.000 0.999 256 V HN 0.711 nan 8.190 nan 0.000 0.426 257 T N 3.984 118.623 114.554 0.141 0.000 2.812 257 T HA 0.589 4.947 4.350 0.012 0.000 0.282 257 T C -0.644 174.083 174.700 0.044 0.000 0.990 257 T CA -0.313 61.868 62.100 0.135 0.000 0.960 257 T CB 1.543 70.528 68.868 0.195 0.000 0.948 257 T HN 0.341 nan 8.240 nan 0.000 0.438 258 V N 4.088 124.005 119.914 0.006 0.000 2.417 258 V HA 0.680 4.808 4.120 0.012 0.000 0.291 258 V C 0.019 176.123 176.094 0.018 0.000 1.024 258 V CA -0.741 61.558 62.300 -0.001 0.000 0.861 258 V CB 1.718 33.526 31.823 -0.025 0.000 0.985 258 V HN 1.044 nan 8.190 nan 0.000 0.436 259 S N 5.180 120.921 115.700 0.068 0.000 2.536 259 S HA 0.871 5.348 4.470 0.012 0.000 0.298 259 S C -1.084 173.575 174.600 0.099 0.000 1.083 259 S CA -0.792 57.436 58.200 0.047 0.000 0.995 259 S CB 2.211 65.475 63.200 0.107 0.000 1.058 259 S HN 0.561 nan 8.310 nan 0.000 0.488 260 L N 1.958 123.138 121.223 -0.071 0.000 2.362 260 L HA 0.814 5.161 4.340 0.012 0.000 0.275 260 L C -2.039 174.801 176.870 -0.050 0.000 0.998 260 L CA -0.310 54.578 54.840 0.079 0.000 0.820 260 L CB 1.003 43.092 42.059 0.050 0.000 1.270 260 L HN 0.895 nan 8.230 nan 0.000 0.415 261 W N 3.459 124.870 121.300 0.185 0.000 2.736 261 W HA 0.591 5.258 4.660 0.012 0.000 0.335 261 W C -0.696 175.931 176.519 0.180 0.000 1.059 261 W CA -0.435 56.996 57.345 0.145 0.000 1.226 261 W CB 1.545 31.040 29.460 0.058 0.000 1.416 261 W HN 0.481 nan 8.180 nan 0.000 0.505 262 Q N 2.723 122.687 119.800 0.274 0.000 2.413 262 Q HA 0.516 4.863 4.340 0.012 0.000 0.258 262 Q C 0.709 176.756 176.000 0.078 0.000 1.037 262 Q CA 0.408 56.226 55.803 0.025 0.000 0.764 262 Q CB 0.814 29.489 28.738 -0.104 0.000 1.217 262 Q HN 0.787 nan 8.270 nan 0.000 0.490 263 G N 3.469 112.309 108.800 0.066 0.000 2.574 263 G HA2 -0.365 3.602 3.960 0.012 0.000 0.286 263 G HA3 -0.365 3.602 3.960 0.012 0.000 0.286 263 G C 0.238 175.235 174.900 0.161 0.000 1.212 263 G CA 0.380 45.522 45.100 0.070 0.000 0.979 263 G HN 0.739 nan 8.290 nan 0.000 0.557 264 E N 0.845 121.132 120.200 0.145 0.000 2.476 264 E HA 0.213 4.571 4.350 0.012 0.000 0.191 264 E C 0.307 177.134 176.600 0.377 0.000 1.064 264 E CA 0.530 57.059 56.400 0.214 0.000 0.866 264 E CB 0.136 29.896 29.700 0.100 0.000 0.952 264 E HN 0.341 nan 8.360 nan 0.000 0.492 265 T N 0.936 115.666 114.554 0.293 0.000 2.824 265 T HA 0.141 4.498 4.350 0.012 0.000 0.280 265 T C -0.323 174.354 174.700 -0.038 0.000 0.995 265 T CA -0.542 61.644 62.100 0.144 0.000 1.009 265 T CB 1.788 70.685 68.868 0.048 0.000 0.955 265 T HN 0.021 nan 8.240 nan 0.000 0.452 266 Q N 2.650 122.158 119.800 -0.487 0.000 2.314 266 Q HA 0.331 4.678 4.340 0.012 0.000 0.257 266 Q C 0.934 176.655 176.000 -0.466 0.000 0.975 266 Q CA -0.499 54.679 55.803 -1.043 0.000 0.933 266 Q CB 0.810 28.680 28.738 -1.446 0.000 1.195 266 Q HN 0.689 nan 8.270 nan 0.000 0.426 267 V N 1.141 120.863 119.914 -0.320 0.000 2.992 267 V HA 0.573 4.701 4.120 0.012 0.000 0.250 267 V C 0.296 176.294 176.094 -0.160 0.000 1.090 267 V CA 0.847 63.056 62.300 -0.151 0.000 1.101 267 V CB 0.115 31.936 31.823 -0.003 0.000 0.743 267 V HN 0.647 nan 8.190 nan 0.000 0.468 268 A N -0.932 121.766 122.820 -0.204 0.000 2.608 268 A HA 0.824 5.151 4.320 0.012 0.000 0.292 268 A C -0.662 176.826 177.584 -0.161 0.000 1.066 268 A CA 0.192 52.140 52.037 -0.148 0.000 0.676 268 A CB 1.575 20.516 19.000 -0.097 0.000 1.277 268 A HN 0.648 nan 8.150 nan 0.000 0.413 269 S N -1.220 114.413 115.700 -0.112 0.000 2.552 269 S HA 0.777 5.255 4.470 0.012 0.000 0.272 269 S C -0.629 173.938 174.600 -0.055 0.000 1.150 269 S CA 0.197 58.346 58.200 -0.085 0.000 0.849 269 S CB 1.684 64.825 63.200 -0.099 0.000 1.113 269 S HN 2.304 nan 8.310 nan 0.000 0.458 270 G N 1.471 110.250 108.800 -0.036 0.000 2.706 270 G HA2 0.645 4.613 3.960 0.012 0.000 0.297 270 G HA3 0.645 4.613 3.960 0.012 0.000 0.297 270 G C -1.439 173.451 174.900 -0.016 0.000 1.403 270 G CA -0.401 44.680 45.100 -0.032 0.000 0.954 270 G HN 0.687 nan 8.290 nan 0.000 0.500 271 T N -0.075 114.472 114.554 -0.011 0.000 2.893 271 T HA 0.843 5.200 4.350 0.012 0.000 0.293 271 T C -0.291 174.384 174.700 -0.042 0.000 1.027 271 T CA -0.095 62.008 62.100 0.006 0.000 0.988 271 T CB 1.805 70.714 68.868 0.068 0.000 1.043 271 T HN 1.487 nan 8.240 nan 0.000 0.461 272 A N 3.599 126.361 122.820 -0.096 0.000 2.612 272 A HA 0.918 5.245 4.320 0.012 0.000 0.293 272 A C -3.083 174.388 177.584 -0.188 0.000 1.075 272 A CA -1.643 50.321 52.037 -0.122 0.000 0.680 272 A CB 1.360 20.277 19.000 -0.138 0.000 1.279 272 A HN 0.530 nan 8.150 nan 0.000 0.411 273 P HA 0.528 nan 4.420 nan 0.000 0.278 273 P C -0.642 176.558 177.300 -0.165 0.000 1.266 273 P CA -0.255 62.778 63.100 -0.110 0.000 0.807 273 P CB 0.381 32.062 31.700 -0.031 0.000 1.094 274 F N -0.176 119.730 119.950 -0.075 0.000 2.406 274 F HA 0.486 5.021 4.527 0.012 0.000 0.327 274 F C 1.429 177.206 175.800 -0.038 0.000 1.153 274 F CA 1.434 59.401 58.000 -0.056 0.000 1.218 274 F CB 0.298 39.259 39.000 -0.066 0.000 1.215 274 F HN 0.578 nan 8.300 nan 0.000 0.570 275 G N 1.529 110.434 108.800 0.175 0.000 2.781 275 G HA2 0.344 4.311 3.960 0.012 0.000 0.468 275 G HA3 0.344 4.311 3.960 0.012 0.000 0.468 275 G C -0.404 174.537 174.900 0.069 0.000 1.186 275 G CA -0.737 44.430 45.100 0.110 0.000 1.220 275 G HN 1.042 nan 8.290 nan 0.000 0.564 276 G N 1.021 109.882 108.800 0.102 0.000 2.621 276 G HA2 0.660 4.627 3.960 0.012 0.000 0.271 276 G HA3 0.660 4.627 3.960 0.012 0.000 0.271 276 G C 0.546 175.480 174.900 0.058 0.000 1.236 276 G CA 0.023 45.169 45.100 0.077 0.000 0.958 276 G HN 0.980 nan 8.290 nan 0.000 0.512 277 E N -0.490 119.737 120.200 0.045 0.000 2.425 277 E HA 0.032 4.390 4.350 0.012 0.000 0.258 277 E C 0.118 176.738 176.600 0.032 0.000 1.151 277 E CA -0.309 56.109 56.400 0.030 0.000 0.958 277 E CB 0.772 30.486 29.700 0.023 0.000 0.968 277 E HN 0.310 nan 8.360 nan 0.000 0.451 278 I N 1.463 122.041 120.570 0.014 0.000 2.648 278 I HA -0.082 4.095 4.170 0.012 0.000 0.284 278 I C 1.454 177.578 176.117 0.011 0.000 1.153 278 I CA 0.363 61.664 61.300 0.002 0.000 1.426 278 I CB 0.254 38.251 38.000 -0.005 0.000 1.381 278 I HN 0.572 nan 8.210 nan 0.000 0.571 279 I N 1.107 121.679 120.570 0.002 0.000 4.471 279 I HA 0.329 4.506 4.170 0.012 0.000 0.326 279 I C -0.287 175.830 176.117 0.001 0.000 1.300 279 I CA -0.097 61.214 61.300 0.018 0.000 1.237 279 I CB 0.588 38.624 38.000 0.061 0.000 1.195 279 I HN 0.607 nan 8.210 nan 0.000 0.427 280 D N -0.183 120.203 120.400 -0.023 0.000 2.838 280 D HA 0.186 4.834 4.640 0.012 0.000 0.334 280 D C 0.191 176.474 176.300 -0.028 0.000 1.315 280 D CA -0.497 53.491 54.000 -0.021 0.000 0.917 280 D CB 0.642 41.430 40.800 -0.021 0.000 1.435 280 D HN -0.130 nan 8.370 nan 0.000 0.517 281 E N -1.074 119.112 120.200 -0.024 0.000 2.333 281 E HA -0.033 4.325 4.350 0.012 0.000 0.198 281 E C 1.256 177.836 176.600 -0.032 0.000 1.007 281 E CA 0.907 57.293 56.400 -0.023 0.000 0.845 281 E CB -0.001 29.689 29.700 -0.017 0.000 0.766 281 E HN 0.212 nan 8.360 nan 0.000 0.507 282 R N -0.401 120.072 120.500 -0.046 0.000 2.334 282 R HA 0.297 4.645 4.340 0.012 0.000 0.216 282 R C 0.788 177.045 176.300 -0.071 0.000 0.905 282 R CA 0.683 56.749 56.100 -0.057 0.000 1.064 282 R CB 0.745 31.005 30.300 -0.066 0.000 1.046 282 R HN 0.205 nan 8.270 nan 0.000 0.508 283 G N -0.565 108.195 108.800 -0.068 0.000 2.358 283 G HA2 -0.075 3.893 3.960 0.012 0.000 0.198 283 G HA3 -0.075 3.893 3.960 0.012 0.000 0.198 283 G C -0.344 174.500 174.900 -0.092 0.000 1.220 283 G CA -0.621 44.437 45.100 -0.069 0.000 1.187 283 G HN 0.454 nan 8.290 nan 0.000 0.544 284 G N -1.997 106.740 108.800 -0.104 0.000 3.022 284 G HA2 0.635 4.603 3.960 0.012 0.000 0.284 284 G HA3 0.635 4.603 3.960 0.012 0.000 0.284 284 G C -1.630 173.154 174.900 -0.193 0.000 1.375 284 G CA -0.721 44.316 45.100 -0.105 0.000 0.902 284 G HN 0.768 nan 8.290 nan 0.000 0.538 285 Y N 1.129 121.439 120.300 0.016 0.000 2.504 285 Y HA 0.410 4.967 4.550 0.012 0.000 0.351 285 Y C 1.459 177.384 175.900 0.041 0.000 0.988 285 Y CA 0.195 58.310 58.100 0.025 0.000 1.239 285 Y CB 1.627 40.106 38.460 0.032 0.000 1.128 285 Y HN 0.550 nan 8.280 nan 0.000 0.525 286 A N 1.733 124.615 122.820 0.102 0.000 2.119 286 A HA -0.123 4.204 4.320 0.012 0.000 0.217 286 A C 1.312 178.966 177.584 0.117 0.000 1.153 286 A CA 1.235 53.324 52.037 0.085 0.000 0.692 286 A CB -0.259 18.750 19.000 0.014 0.000 0.799 286 A HN 0.779 nan 8.150 nan 0.000 0.458 287 D N -0.838 119.642 120.400 0.134 0.000 2.388 287 D HA 0.147 4.794 4.640 0.012 0.000 0.221 287 D C 0.470 176.918 176.300 0.247 0.000 1.133 287 D CA -0.049 53.976 54.000 0.042 0.000 0.831 287 D CB -0.013 40.777 40.800 -0.016 0.000 0.962 287 D HN 0.380 nan 8.370 nan 0.000 0.502 288 R N -0.776 119.959 120.500 0.392 0.000 2.836 288 R HA 0.751 5.098 4.340 0.012 0.000 0.269 288 R C -1.599 174.819 176.300 0.197 0.000 1.010 288 R CA -1.168 55.126 56.100 0.323 0.000 0.930 288 R CB 3.065 33.424 30.300 0.098 0.000 1.218 288 R HN -0.019 nan 8.270 nan 0.000 0.473 289 V N 0.270 120.162 119.914 -0.037 0.000 3.048 289 V HA 0.509 4.637 4.120 0.012 0.000 0.303 289 V C -1.533 174.476 176.094 -0.142 0.000 1.214 289 V CA -0.266 61.925 62.300 -0.182 0.000 0.984 289 V CB 2.718 34.240 31.823 -0.501 0.000 1.054 289 V HN 0.800 nan 8.190 nan 0.000 0.430 290 T N 7.464 121.955 114.554 -0.106 0.000 2.786 290 T HA 0.588 4.945 4.350 0.012 0.000 0.283 290 T C -0.925 173.725 174.700 -0.083 0.000 0.992 290 T CA -0.383 61.669 62.100 -0.080 0.000 0.954 290 T CB 1.010 69.848 68.868 -0.051 0.000 0.934 290 T HN 0.450 nan 8.240 nan 0.000 0.440 291 L N 3.654 124.830 121.223 -0.079 0.000 2.322 291 L HA 0.591 4.938 4.340 0.012 0.000 0.279 291 L C 0.451 177.290 176.870 -0.053 0.000 1.036 291 L CA -0.419 54.379 54.840 -0.070 0.000 0.807 291 L CB 1.386 43.404 42.059 -0.069 0.000 1.226 291 L HN 0.546 nan 8.230 nan 0.000 0.433 292 R N 3.213 123.683 120.500 -0.050 0.000 2.476 292 R HA 0.623 4.971 4.340 0.012 0.000 0.305 292 R C -1.398 174.875 176.300 -0.045 0.000 0.965 292 R CA -0.949 55.123 56.100 -0.047 0.000 0.867 292 R CB 2.115 32.387 30.300 -0.046 0.000 1.176 292 R HN 0.235 nan 8.270 nan 0.000 0.447 293 L N 2.748 123.945 121.223 -0.042 0.000 2.322 293 L HA 0.368 4.715 4.340 0.012 0.000 0.281 293 L C -0.199 176.645 176.870 -0.043 0.000 1.014 293 L CA -0.560 54.255 54.840 -0.041 0.000 0.815 293 L CB 1.519 43.559 42.059 -0.031 0.000 1.247 293 L HN 0.449 nan 8.230 nan 0.000 0.421 294 N N 2.136 120.805 118.700 -0.051 0.000 2.499 294 N HA 0.512 5.260 4.740 0.012 0.000 0.281 294 N C -1.047 174.420 175.510 -0.072 0.000 1.098 294 N CA -0.233 52.782 53.050 -0.057 0.000 0.979 294 N CB 2.258 40.713 38.487 -0.053 0.000 1.121 294 N HN 0.207 nan 8.380 nan 0.000 0.466 295 V N 2.006 121.863 119.914 -0.094 0.000 2.525 295 V HA 0.211 4.339 4.120 0.012 0.000 0.299 295 V C -0.208 175.804 176.094 -0.138 0.000 1.034 295 V CA -0.878 61.328 62.300 -0.157 0.000 0.863 295 V CB 1.993 33.633 31.823 -0.304 0.000 0.999 295 V HN 0.451 nan 8.190 nan 0.000 0.423 296 E N 2.797 122.937 120.200 -0.099 0.000 2.283 296 E HA 0.318 4.675 4.350 0.012 0.000 0.278 296 E C 0.204 176.776 176.600 -0.046 0.000 1.027 296 E CA -0.419 55.947 56.400 -0.056 0.000 0.843 296 E CB 0.633 30.311 29.700 -0.036 0.000 1.062 296 E HN 0.731 nan 8.360 nan 0.000 0.401 297 N N 1.412 120.108 118.700 -0.006 0.000 2.688 297 N HA -0.149 4.598 4.740 0.012 0.000 0.258 297 N C -2.485 173.027 175.510 0.003 0.000 1.016 297 N CA 0.146 53.209 53.050 0.022 0.000 0.747 297 N CB -0.899 37.600 38.487 0.021 0.000 0.895 297 N HN 0.304 nan 8.380 nan 0.000 0.543 298 P HA -0.002 nan 4.420 nan 0.000 0.269 298 P C -0.402 176.929 177.300 0.053 0.000 1.209 298 P CA 0.340 63.349 63.100 -0.152 0.000 0.776 298 P CB 0.724 32.171 31.700 -0.421 0.000 0.876 299 K N 2.549 123.058 120.400 0.183 0.000 2.349 299 K HA 0.272 4.599 4.320 0.012 0.000 0.289 299 K C 0.230 176.979 176.600 0.248 0.000 1.064 299 K CA -0.346 56.042 56.287 0.169 0.000 0.947 299 K CB 0.179 32.744 32.500 0.109 0.000 1.007 299 K HN 0.431 nan 8.250 nan 0.000 0.478 300 L N 2.545 123.845 121.223 0.129 0.000 2.418 300 L HA 0.300 4.648 4.340 0.012 0.000 0.265 300 L C 0.022 176.972 176.870 0.133 0.000 1.143 300 L CA -0.807 54.114 54.840 0.136 0.000 0.809 300 L CB 0.440 42.422 42.059 -0.129 0.000 1.124 300 L HN 0.607 nan 8.230 nan 0.000 0.456 301 W N 2.764 124.094 121.300 0.050 0.000 2.376 301 W HA 0.496 5.163 4.660 0.011 0.000 0.322 301 W C -0.057 176.415 176.519 -0.078 0.000 1.160 301 W CA 0.080 57.439 57.345 0.023 0.000 1.218 301 W CB 1.371 30.899 29.460 0.113 0.000 1.205 301 W HN 0.612 nan 8.180 nan 0.000 0.559 302 S N 2.694 117.849 115.700 -0.909 0.000 2.643 302 S HA 0.634 5.112 4.470 0.012 0.000 0.270 302 S C 0.076 173.844 174.600 -1.386 0.000 1.166 302 S CA -0.360 57.350 58.200 -0.816 0.000 0.815 302 S CB 1.058 64.079 63.200 -0.298 0.000 1.139 302 S HN 1.022 nan 8.310 nan 0.000 0.472 303 A N 0.388 122.543 122.820 -1.108 0.000 2.015 303 A HA 0.069 4.397 4.320 0.012 0.000 0.219 303 A C 1.765 179.014 177.584 -0.558 0.000 1.163 303 A CA 1.432 52.866 52.037 -1.004 0.000 0.646 303 A CB -0.952 17.321 19.000 -1.211 0.000 0.806 303 A HN 0.860 nan 8.150 nan 0.000 0.448 304 E N -0.849 119.161 120.200 -0.318 0.000 2.072 304 E HA 0.014 4.372 4.350 0.012 0.000 0.190 304 E C -0.342 176.120 176.600 -0.229 0.000 0.982 304 E CA 0.751 57.035 56.400 -0.193 0.000 0.803 304 E CB -0.000 29.723 29.700 0.038 0.000 0.755 304 E HN 0.618 nan 8.360 nan 0.000 0.453 305 I N 1.573 121.982 120.570 -0.267 0.000 2.542 305 I HA 0.150 4.328 4.170 0.012 0.000 0.278 305 I C -2.468 173.429 176.117 -0.367 0.000 1.069 305 I CA -1.829 59.334 61.300 -0.229 0.000 1.100 305 I CB 2.238 40.154 38.000 -0.139 0.000 1.204 305 I HN -0.200 nan 8.210 nan 0.000 0.470 306 P HA 0.101 nan 4.420 nan 0.000 0.220 306 P C -0.659 176.623 177.300 -0.030 0.000 1.806 306 P CA -0.301 62.500 63.100 -0.498 0.000 0.976 306 P CB -0.195 31.353 31.700 -0.254 0.000 1.952 307 N N 1.799 120.504 118.700 0.007 0.000 2.454 307 N HA 0.120 4.868 4.740 0.012 0.000 0.260 307 N C 0.110 175.821 175.510 0.335 0.000 1.218 307 N CA 0.509 53.633 53.050 0.122 0.000 0.904 307 N CB 0.699 39.252 38.487 0.109 0.000 1.065 307 N HN 0.320 nan 8.380 nan 0.000 0.462 308 L N 2.304 123.651 121.223 0.207 0.000 2.388 308 L HA 0.477 4.824 4.340 0.012 0.000 0.264 308 L C -0.777 176.170 176.870 0.128 0.000 0.998 308 L CA -0.869 54.144 54.840 0.289 0.000 0.817 308 L CB 1.314 43.514 42.059 0.236 0.000 1.338 308 L HN 0.383 nan 8.230 nan 0.000 0.414 309 Y N 0.247 120.703 120.300 0.261 0.000 2.631 309 Y HA 0.654 5.212 4.550 0.013 0.000 0.328 309 Y C -0.155 175.870 175.900 0.209 0.000 1.118 309 Y CA -0.782 57.470 58.100 0.252 0.000 1.206 309 Y CB 1.636 40.307 38.460 0.352 0.000 1.337 309 Y HN 0.381 nan 8.280 nan 0.000 0.515 310 R N 1.038 121.774 120.500 0.393 0.000 2.437 310 R HA 0.789 5.137 4.340 0.012 0.000 0.310 310 R C -1.628 174.857 176.300 0.308 0.000 0.955 310 R CA -0.502 55.757 56.100 0.265 0.000 0.851 310 R CB 1.015 31.408 30.300 0.154 0.000 1.161 310 R HN 0.733 nan 8.270 nan 0.000 0.446 311 A N 3.866 126.812 122.820 0.211 0.000 2.292 311 A HA 0.626 4.954 4.320 0.012 0.000 0.319 311 A C -1.013 176.626 177.584 0.091 0.000 1.206 311 A CA -0.651 51.491 52.037 0.174 0.000 0.835 311 A CB 1.285 20.356 19.000 0.118 0.000 1.164 311 A HN 0.493 nan 8.150 nan 0.000 0.505 312 V N 3.222 123.192 119.914 0.093 0.000 2.417 312 V HA 0.383 4.510 4.120 0.012 0.000 0.291 312 V C -0.369 175.696 176.094 -0.049 0.000 1.024 312 V CA -0.490 61.801 62.300 -0.015 0.000 0.861 312 V CB 1.631 33.449 31.823 -0.010 0.000 0.985 312 V HN 0.610 nan 8.190 nan 0.000 0.436 313 V N 4.834 124.655 119.914 -0.155 0.000 2.313 313 V HA 0.385 4.513 4.120 0.012 0.000 0.278 313 V C 0.003 176.037 176.094 -0.099 0.000 1.017 313 V CA -0.573 61.612 62.300 -0.191 0.000 0.823 313 V CB 1.001 32.548 31.823 -0.459 0.000 1.010 313 V HN 0.919 nan 8.190 nan 0.000 0.443 314 E N 3.915 124.112 120.200 -0.004 0.000 2.156 314 E HA 0.476 4.834 4.350 0.012 0.000 0.279 314 E C -0.869 175.830 176.600 0.164 0.000 0.965 314 E CA -0.827 55.619 56.400 0.077 0.000 0.789 314 E CB 2.394 32.151 29.700 0.095 0.000 1.098 314 E HN 0.461 nan 8.360 nan 0.000 0.397 315 L N 4.803 126.103 121.223 0.128 0.000 2.264 315 L HA 0.368 4.716 4.340 0.012 0.000 0.289 315 L C -0.973 176.013 176.870 0.192 0.000 1.044 315 L CA 0.112 55.029 54.840 0.128 0.000 0.807 315 L CB -0.007 42.106 42.059 0.090 0.000 1.192 315 L HN 0.660 nan 8.230 nan 0.000 0.425 316 H N 0.084 119.213 119.070 0.099 0.000 2.948 316 H HA 0.699 5.262 4.556 0.012 0.000 0.315 316 H C -0.730 174.678 175.328 0.134 0.000 1.360 316 H CA -0.568 55.532 56.048 0.088 0.000 1.125 316 H CB 0.522 30.314 29.762 0.051 0.000 1.844 316 H HN 0.510 nan 8.280 nan 0.000 0.529 317 T N -1.728 112.966 114.554 0.234 0.000 2.882 317 T HA 0.481 4.839 4.350 0.012 0.000 0.287 317 T C 1.433 176.278 174.700 0.241 0.000 1.014 317 T CA -0.308 61.917 62.100 0.208 0.000 1.049 317 T CB 1.433 70.342 68.868 0.069 0.000 1.001 317 T HN 0.920 nan 8.240 nan 0.000 0.525 318 A N 1.084 124.013 122.820 0.181 0.000 1.972 318 A HA -0.051 4.277 4.320 0.012 0.000 0.219 318 A C 1.805 179.492 177.584 0.171 0.000 1.169 318 A CA 1.353 53.494 52.037 0.174 0.000 0.635 318 A CB -0.814 18.258 19.000 0.120 0.000 0.810 318 A HN 0.856 nan 8.150 nan 0.000 0.446 319 D N -1.410 119.059 120.400 0.115 0.000 2.363 319 D HA 0.263 4.911 4.640 0.012 0.000 0.226 319 D C 1.293 177.630 176.300 0.062 0.000 1.020 319 D CA 1.199 55.239 54.000 0.066 0.000 0.892 319 D CB 0.147 40.963 40.800 0.026 0.000 0.900 319 D HN 0.618 nan 8.370 nan 0.000 0.531 320 G N -0.464 108.402 108.800 0.110 0.000 2.205 320 G HA2 -0.198 3.769 3.960 0.012 0.000 0.180 320 G HA3 -0.198 3.769 3.960 0.012 0.000 0.180 320 G C 0.404 175.325 174.900 0.036 0.000 1.004 320 G CA -0.225 44.904 45.100 0.048 0.000 0.670 320 G HN 0.241 nan 8.290 nan 0.000 0.496 321 T N 1.953 116.551 114.554 0.072 0.000 2.728 321 T HA 0.522 4.880 4.350 0.012 0.000 0.296 321 T C 0.162 174.922 174.700 0.100 0.000 0.940 321 T CA -0.208 61.923 62.100 0.052 0.000 1.013 321 T CB 1.820 70.702 68.868 0.024 0.000 0.912 321 T HN 0.531 nan 8.240 nan 0.000 0.484 322 L N 5.376 126.635 121.223 0.060 0.000 2.360 322 L HA 0.338 4.685 4.340 0.012 0.000 0.276 322 L C 0.871 177.786 176.870 0.074 0.000 1.121 322 L CA 0.344 55.233 54.840 0.083 0.000 0.845 322 L CB 0.007 42.084 42.059 0.030 0.000 1.143 322 L HN 0.687 nan 8.230 nan 0.000 0.452 323 I N 2.967 123.594 120.570 0.094 0.000 2.270 323 I HA 0.040 4.217 4.170 0.012 0.000 0.239 323 I C 0.385 176.525 176.117 0.038 0.000 1.080 323 I CA 0.724 62.060 61.300 0.061 0.000 1.383 323 I CB 0.039 38.080 38.000 0.068 0.000 1.097 323 I HN 0.802 nan 8.210 nan 0.000 0.420 324 E N 0.027 120.249 120.200 0.037 0.000 2.416 324 E HA 0.730 5.088 4.350 0.012 0.000 0.280 324 E C -1.428 175.190 176.600 0.030 0.000 1.055 324 E CA -1.110 55.304 56.400 0.023 0.000 0.825 324 E CB 1.835 31.517 29.700 -0.029 0.000 1.312 324 E HN 0.026 nan 8.360 nan 0.000 0.452 325 A N 1.158 124.018 122.820 0.066 0.000 2.414 325 A HA 0.687 5.015 4.320 0.012 0.000 0.306 325 A C -0.942 176.727 177.584 0.143 0.000 1.054 325 A CA -0.739 51.335 52.037 0.061 0.000 0.724 325 A CB 1.557 20.587 19.000 0.050 0.000 1.267 325 A HN 0.520 nan 8.150 nan 0.000 0.418 326 E N -0.303 119.910 120.200 0.021 0.000 2.355 326 E HA 0.857 5.214 4.350 0.012 0.000 0.261 326 E C -0.436 176.181 176.600 0.029 0.000 0.943 326 E CA -0.528 55.937 56.400 0.109 0.000 0.806 326 E CB 2.356 32.018 29.700 -0.063 0.000 1.286 326 E HN 1.221 nan 8.360 nan 0.000 0.424 327 A N -0.253 122.689 122.820 0.203 0.000 2.566 327 A HA 0.686 5.014 4.320 0.012 0.000 0.290 327 A C -1.208 176.551 177.584 0.293 0.000 1.071 327 A CA -0.340 51.751 52.037 0.090 0.000 0.658 327 A CB 0.626 19.616 19.000 -0.017 0.000 1.285 327 A HN 0.876 nan 8.150 nan 0.000 0.427 328 C N -0.745 118.693 119.300 0.230 0.000 3.321 328 C HA 0.816 5.284 4.460 0.012 0.000 0.329 328 C C -1.414 173.676 174.990 0.166 0.000 1.394 328 C CA -0.921 58.240 59.018 0.239 0.000 1.291 328 C CB 1.056 28.961 27.740 0.274 0.000 1.606 328 C HN 0.821 nan 8.230 nan 0.000 0.463 329 D N 0.983 121.467 120.400 0.140 0.000 2.304 329 D HA 0.560 5.208 4.640 0.012 0.000 0.250 329 D C -0.370 175.993 176.300 0.105 0.000 1.107 329 D CA 0.159 54.243 54.000 0.140 0.000 0.885 329 D CB 1.849 42.733 40.800 0.140 0.000 1.192 329 D HN 0.546 nan 8.370 nan 0.000 0.436 330 V N 1.152 121.156 119.914 0.151 0.000 2.495 330 V HA 0.664 4.791 4.120 0.012 0.000 0.298 330 V C 0.580 176.760 176.094 0.142 0.000 1.031 330 V CA -0.835 61.504 62.300 0.064 0.000 0.871 330 V CB 2.044 33.892 31.823 0.041 0.000 0.988 330 V HN 0.609 nan 8.190 nan 0.000 0.432 331 G N 3.118 111.901 108.800 -0.028 0.000 2.502 331 G HA2 0.590 4.558 3.960 0.012 0.000 0.311 331 G HA3 0.590 4.558 3.960 0.012 0.000 0.311 331 G C -0.948 174.037 174.900 0.142 0.000 1.270 331 G CA -0.381 44.782 45.100 0.105 0.000 0.948 331 G HN 0.435 nan 8.290 nan 0.000 0.487 332 F N 4.135 124.283 119.950 0.331 0.000 2.462 332 F HA 0.402 4.936 4.527 0.012 0.000 0.360 332 F C 1.186 177.240 175.800 0.423 0.000 1.134 332 F CA -0.001 58.253 58.000 0.423 0.000 1.148 332 F CB 0.616 39.885 39.000 0.447 0.000 1.147 332 F HN 0.446 nan 8.300 nan 0.000 0.550 333 R N 3.101 123.890 120.500 0.481 0.000 2.663 333 R HA 0.427 4.774 4.340 0.012 0.000 0.267 333 R C -1.817 174.662 176.300 0.298 0.000 1.038 333 R CA -0.825 55.419 56.100 0.240 0.000 0.886 333 R CB 1.630 32.100 30.300 0.285 0.000 1.249 333 R HN 0.589 nan 8.270 nan 0.000 0.463 334 E N 2.126 122.417 120.200 0.151 0.000 2.199 334 E HA 0.478 4.835 4.350 0.012 0.000 0.269 334 E C -1.265 175.422 176.600 0.144 0.000 0.899 334 E CA -0.928 55.632 56.400 0.265 0.000 0.772 334 E CB 2.173 32.103 29.700 0.383 0.000 1.155 334 E HN 0.396 nan 8.360 nan 0.000 0.408 335 V N 5.388 125.376 119.914 0.123 0.000 2.448 335 V HA 0.583 4.710 4.120 0.012 0.000 0.295 335 V C -0.246 175.893 176.094 0.075 0.000 1.025 335 V CA -0.618 61.725 62.300 0.070 0.000 0.859 335 V CB 1.225 33.066 31.823 0.031 0.000 0.988 335 V HN 0.758 nan 8.190 nan 0.000 0.431 336 R N 4.214 124.754 120.500 0.066 0.000 2.663 336 R HA 0.721 5.069 4.340 0.012 0.000 0.267 336 R C -2.130 174.200 176.300 0.050 0.000 1.038 336 R CA -0.908 55.233 56.100 0.068 0.000 0.886 336 R CB 1.893 32.248 30.300 0.092 0.000 1.249 336 R HN 0.519 nan 8.270 nan 0.000 0.463 337 I N 1.371 121.970 120.570 0.048 0.000 2.378 337 I HA 0.351 4.528 4.170 0.012 0.000 0.291 337 I C -0.691 175.451 176.117 0.041 0.000 0.992 337 I CA -0.444 60.877 61.300 0.036 0.000 1.154 337 I CB 1.913 39.935 38.000 0.037 0.000 1.315 337 I HN 0.716 nan 8.210 nan 0.000 0.448 338 E N 5.897 126.117 120.200 0.035 0.000 2.278 338 E HA 0.261 4.619 4.350 0.012 0.000 0.272 338 E C -0.294 176.323 176.600 0.027 0.000 0.890 338 E CA -0.527 55.895 56.400 0.037 0.000 0.770 338 E CB 1.021 30.748 29.700 0.046 0.000 1.212 338 E HN 0.534 nan 8.360 nan 0.000 0.415 339 N N 3.148 121.864 118.700 0.026 0.000 2.725 339 N HA -0.231 4.516 4.740 0.012 0.000 0.249 339 N C 0.449 175.967 175.510 0.013 0.000 1.103 339 N CA 2.104 55.166 53.050 0.019 0.000 0.707 339 N CB -1.148 37.350 38.487 0.017 0.000 1.043 339 N HN 0.986 nan 8.380 nan 0.000 0.553 340 G N -2.419 106.390 108.800 0.014 0.000 2.175 340 G HA2 -0.269 3.698 3.960 0.012 0.000 0.244 340 G HA3 -0.269 3.698 3.960 0.012 0.000 0.244 340 G C -0.105 174.792 174.900 -0.005 0.000 0.982 340 G CA 0.402 45.506 45.100 0.007 0.000 0.641 340 G HN 0.434 nan 8.290 nan 0.000 0.527 341 L N 0.155 121.376 121.223 -0.003 0.000 2.362 341 L HA 0.727 5.074 4.340 0.012 0.000 0.271 341 L C -0.019 176.843 176.870 -0.014 0.000 1.002 341 L CA -1.349 53.481 54.840 -0.017 0.000 0.818 341 L CB 1.885 43.934 42.059 -0.016 0.000 1.298 341 L HN 0.099 nan 8.230 nan 0.000 0.420 342 L N 4.145 125.348 121.223 -0.035 0.000 2.278 342 L HA 0.469 4.816 4.340 0.012 0.000 0.287 342 L C -0.870 175.978 176.870 -0.037 0.000 1.072 342 L CA 0.356 55.176 54.840 -0.033 0.000 0.819 342 L CB 0.405 42.428 42.059 -0.059 0.000 1.176 342 L HN 0.371 nan 8.230 nan 0.000 0.435 343 L N 5.785 127.003 121.223 -0.008 0.000 2.342 343 L HA 0.564 4.912 4.340 0.012 0.000 0.271 343 L C -0.886 175.992 176.870 0.014 0.000 1.008 343 L CA -0.865 53.977 54.840 0.005 0.000 0.818 343 L CB 1.978 44.062 42.059 0.042 0.000 1.296 343 L HN 0.536 nan 8.230 nan 0.000 0.427 344 L N 3.441 124.683 121.223 0.031 0.000 2.349 344 L HA 0.489 4.837 4.340 0.012 0.000 0.278 344 L C -0.216 176.670 176.870 0.027 0.000 0.996 344 L CA -0.030 54.840 54.840 0.049 0.000 0.825 344 L CB 0.976 43.088 42.059 0.089 0.000 1.243 344 L HN 0.596 nan 8.230 nan 0.000 0.412 345 N N 4.112 122.689 118.700 -0.205 0.000 2.721 345 N HA -0.222 4.526 4.740 0.012 0.000 0.249 345 N C 0.919 176.043 175.510 -0.644 0.000 1.072 345 N CA 1.353 53.925 53.050 -0.797 0.000 0.710 345 N CB -1.310 36.628 38.487 -0.916 0.000 0.993 345 N HN 1.180 nan 8.380 nan 0.000 0.547 346 G N -2.234 106.495 108.800 -0.120 0.000 2.179 346 G HA2 -0.345 3.623 3.960 0.012 0.000 0.260 346 G HA3 -0.345 3.623 3.960 0.012 0.000 0.260 346 G C -0.034 174.896 174.900 0.051 0.000 0.977 346 G CA 0.888 46.037 45.100 0.081 0.000 0.641 346 G HN 0.418 nan 8.290 nan 0.000 0.533 347 K N 0.538 120.961 120.400 0.038 0.000 2.267 347 K HA 0.567 4.895 4.320 0.012 0.000 0.246 347 K C -2.864 173.714 176.600 -0.038 0.000 0.954 347 K CA -2.213 54.062 56.287 -0.020 0.000 0.824 347 K CB 2.450 34.877 32.500 -0.121 0.000 1.167 347 K HN 0.009 nan 8.250 nan 0.000 0.431 348 P HA 0.229 nan 4.420 nan 0.000 0.282 348 P C -0.146 177.091 177.300 -0.106 0.000 1.274 348 P CA -0.223 62.832 63.100 -0.074 0.000 0.770 348 P CB 0.472 32.131 31.700 -0.068 0.000 0.867 349 L N 3.307 124.461 121.223 -0.114 0.000 2.466 349 L HA 0.343 4.690 4.340 0.012 0.000 0.257 349 L C 0.563 177.349 176.870 -0.141 0.000 1.189 349 L CA -0.660 54.099 54.840 -0.135 0.000 0.813 349 L CB 0.330 42.264 42.059 -0.208 0.000 1.118 349 L HN 0.245 nan 8.230 nan 0.000 0.471 350 L N 3.081 124.236 121.223 -0.112 0.000 2.415 350 L HA 0.427 4.774 4.340 0.012 0.000 0.268 350 L C -0.623 176.193 176.870 -0.090 0.000 0.984 350 L CA -0.248 54.509 54.840 -0.139 0.000 0.853 350 L CB 0.968 42.974 42.059 -0.088 0.000 1.215 350 L HN 0.233 nan 8.230 nan 0.000 0.419 351 I N 5.087 125.536 120.570 -0.202 0.000 2.421 351 I HA 0.213 4.390 4.170 0.012 0.000 0.291 351 I C 0.555 176.632 176.117 -0.067 0.000 1.089 351 I CA 0.179 61.371 61.300 -0.179 0.000 1.354 351 I CB 0.372 38.132 38.000 -0.400 0.000 1.413 351 I HN 0.558 nan 8.210 nan 0.000 0.513 352 R N 4.838 125.383 120.500 0.075 0.000 2.755 352 R HA 0.445 4.793 4.340 0.012 0.000 0.268 352 R C 0.511 176.936 176.300 0.210 0.000 1.295 352 R CA -0.281 55.900 56.100 0.136 0.000 1.379 352 R CB 0.893 31.091 30.300 -0.171 0.000 1.170 352 R HN 0.767 nan 8.270 nan 0.000 0.584 353 G N 0.216 109.117 108.800 0.170 0.000 2.552 353 G HA2 0.592 4.559 3.960 0.012 0.000 0.324 353 G HA3 0.592 4.559 3.960 0.012 0.000 0.324 353 G C -1.268 173.960 174.900 0.547 0.000 1.217 353 G CA -0.457 44.741 45.100 0.162 0.000 0.989 353 G HN 0.240 nan 8.290 nan 0.000 0.490 354 V N -0.149 120.035 119.914 0.451 0.000 3.012 354 V HA 0.479 4.606 4.120 0.012 0.000 0.307 354 V C -1.222 174.982 176.094 0.182 0.000 1.166 354 V CA -1.218 61.205 62.300 0.205 0.000 0.974 354 V CB 2.237 33.852 31.823 -0.347 0.000 1.040 354 V HN 0.756 nan 8.190 nan 0.000 0.428 355 N N 4.125 122.839 118.700 0.024 0.000 2.499 355 N HA 0.445 5.193 4.740 0.012 0.000 0.281 355 N C -0.765 174.522 175.510 -0.371 0.000 1.098 355 N CA -0.302 52.630 53.050 -0.198 0.000 0.979 355 N CB 1.542 39.844 38.487 -0.309 0.000 1.121 355 N HN 0.652 nan 8.380 nan 0.000 0.466 356 R N 2.128 122.389 120.500 -0.398 0.000 2.502 356 R HA 0.243 4.590 4.340 0.012 0.000 0.300 356 R C -0.863 175.185 176.300 -0.420 0.000 0.984 356 R CA -0.560 55.332 56.100 -0.346 0.000 0.882 356 R CB 0.941 31.018 30.300 -0.372 0.000 1.180 356 R HN 0.577 nan 8.270 nan 0.000 0.444 357 H N 2.086 121.015 119.070 -0.236 0.000 2.508 357 H HA 0.157 4.721 4.556 0.013 0.000 0.358 357 H C -0.512 174.821 175.328 0.008 0.000 1.212 357 H CA -0.008 55.998 56.048 -0.071 0.000 1.356 357 H CB 1.460 31.255 29.762 0.055 0.000 1.525 357 H HN 0.569 nan 8.280 nan 0.000 0.578 358 E N 1.580 121.979 120.200 0.331 0.000 2.014 358 E HA 0.135 4.492 4.350 0.012 0.000 0.275 358 E C -0.824 175.932 176.600 0.261 0.000 0.997 358 E CA -0.118 56.392 56.400 0.183 0.000 0.804 358 E CB 0.511 30.333 29.700 0.204 0.000 1.090 358 E HN 0.372 nan 8.360 nan 0.000 0.401 359 H N 1.735 120.876 119.070 0.118 0.000 2.865 359 H HA 0.284 4.848 4.556 0.012 0.000 0.362 359 H C -1.721 173.675 175.328 0.113 0.000 1.114 359 H CA -0.646 55.471 56.048 0.114 0.000 1.208 359 H CB 1.127 30.947 29.762 0.097 0.000 1.727 359 H HN 0.418 nan 8.280 nan 0.000 0.534 360 H N 5.909 124.582 119.070 -0.661 0.000 2.759 360 H HA 0.224 4.787 4.556 0.012 0.000 0.354 360 H C -2.363 172.605 175.328 -0.600 0.000 1.074 360 H CA -2.372 53.437 56.048 -0.398 0.000 1.226 360 H CB 2.802 32.476 29.762 -0.146 0.000 1.648 360 H HN 0.527 nan 8.280 nan 0.000 0.529 361 P HA -0.055 nan 4.420 nan 0.000 0.223 361 P C 1.132 178.350 177.300 -0.137 0.000 1.151 361 P CA 0.750 63.722 63.100 -0.213 0.000 0.787 361 P CB 0.832 32.434 31.700 -0.162 0.000 0.788 362 L N -1.651 119.593 121.223 0.035 0.000 2.388 362 L HA 0.122 4.469 4.340 0.012 0.000 0.209 362 L C 2.271 178.949 176.870 -0.320 0.000 1.061 362 L CA 0.682 55.400 54.840 -0.204 0.000 0.834 362 L CB -0.776 41.016 42.059 -0.445 0.000 1.029 362 L HN -0.028 nan 8.230 nan 0.000 0.473 363 H N -0.002 119.045 119.070 -0.039 0.000 2.551 363 H HA 0.325 4.889 4.556 0.012 0.000 0.271 363 H C 1.377 176.602 175.328 -0.171 0.000 0.984 363 H CA 0.452 56.379 56.048 -0.203 0.000 1.164 363 H CB 0.202 29.718 29.762 -0.411 0.000 1.437 363 H HN 0.357 nan 8.280 nan 0.000 0.550 364 G N 1.544 110.271 108.800 -0.121 0.000 2.557 364 G HA2 -0.366 3.602 3.960 0.012 0.000 0.292 364 G HA3 -0.366 3.602 3.960 0.012 0.000 0.292 364 G C 0.745 175.575 174.900 -0.116 0.000 1.162 364 G CA 0.408 45.388 45.100 -0.199 0.000 0.964 364 G HN 0.449 nan 8.290 nan 0.000 0.541 365 Q N -0.098 119.660 119.800 -0.071 0.000 2.220 365 Q HA 0.467 4.814 4.340 0.012 0.000 0.205 365 Q C 0.369 176.480 176.000 0.185 0.000 0.865 365 Q CA -0.159 55.653 55.803 0.015 0.000 0.960 365 Q CB 1.259 29.894 28.738 -0.171 0.000 1.097 365 Q HN 0.363 nan 8.270 nan 0.000 0.493 366 V N 2.182 122.177 119.914 0.134 0.000 2.508 366 V HA 0.129 4.256 4.120 0.012 0.000 0.281 366 V C 0.218 176.364 176.094 0.086 0.000 1.041 366 V CA 0.332 62.710 62.300 0.131 0.000 1.016 366 V CB 0.826 32.658 31.823 0.015 0.000 0.984 366 V HN 0.322 nan 8.190 nan 0.000 0.478 367 M N 4.697 124.350 119.600 0.089 0.000 2.537 367 M HA 0.524 5.012 4.480 0.012 0.000 0.324 367 M C -0.566 175.688 176.300 -0.076 0.000 1.187 367 M CA -0.641 54.663 55.300 0.007 0.000 0.993 367 M CB 1.729 34.292 32.600 -0.061 0.000 1.666 367 M HN 0.922 nan 8.290 nan 0.000 0.461 368 D N -1.534 118.826 120.400 -0.066 0.000 2.581 368 D HA 0.250 4.897 4.640 0.012 0.000 0.232 368 D C 0.323 176.602 176.300 -0.036 0.000 1.143 368 D CA -0.700 53.265 54.000 -0.059 0.000 0.881 368 D CB 1.407 42.195 40.800 -0.020 0.000 1.500 368 D HN 0.686 nan 8.370 nan 0.000 0.458 369 E N 0.015 120.208 120.200 -0.011 0.000 2.085 369 E HA -0.324 4.034 4.350 0.012 0.000 0.194 369 E C 1.549 178.193 176.600 0.073 0.000 0.994 369 E CA 1.481 57.903 56.400 0.037 0.000 0.801 369 E CB 0.119 29.858 29.700 0.064 0.000 0.743 369 E HN 0.588 nan 8.360 nan 0.000 0.453 370 Q N -0.541 119.305 119.800 0.076 0.000 2.050 370 Q HA -0.137 4.210 4.340 0.012 0.000 0.202 370 Q C 2.188 178.252 176.000 0.107 0.000 0.980 370 Q CA 2.107 57.966 55.803 0.093 0.000 0.840 370 Q CB 0.037 28.832 28.738 0.096 0.000 0.898 370 Q HN 0.311 nan 8.270 nan 0.000 0.424 371 T N 0.686 115.314 114.554 0.123 0.000 2.777 371 T HA -0.133 4.224 4.350 0.012 0.000 0.266 371 T C 1.793 176.576 174.700 0.139 0.000 1.040 371 T CA 1.194 63.382 62.100 0.146 0.000 1.141 371 T CB -0.116 68.870 68.868 0.197 0.000 0.868 371 T HN 0.248 nan 8.240 nan 0.000 0.444 372 M N 0.559 120.239 119.600 0.134 0.000 2.086 372 M HA -0.097 4.391 4.480 0.012 0.000 0.261 372 M C 2.481 178.894 176.300 0.188 0.000 1.067 372 M CA 1.329 56.774 55.300 0.241 0.000 1.116 372 M CB -0.671 32.109 32.600 0.300 0.000 1.348 372 M HN 0.092 nan 8.290 nan 0.000 0.407 373 V N 0.387 120.353 119.914 0.088 0.000 2.332 373 V HA -0.316 3.812 4.120 0.012 0.000 0.248 373 V C 2.360 178.438 176.094 -0.026 0.000 1.055 373 V CA 2.222 64.507 62.300 -0.025 0.000 1.038 373 V CB -0.930 30.915 31.823 0.036 0.000 0.651 373 V HN 0.574 nan 8.190 nan 0.000 0.450 374 Q N -0.341 119.497 119.800 0.063 0.000 2.096 374 Q HA -0.270 4.077 4.340 0.012 0.000 0.204 374 Q C 1.950 178.028 176.000 0.131 0.000 0.982 374 Q CA 2.157 58.017 55.803 0.094 0.000 0.850 374 Q CB -0.143 28.668 28.738 0.121 0.000 0.901 374 Q HN 0.622 nan 8.270 nan 0.000 0.422 375 D N 0.361 120.858 120.400 0.161 0.000 2.097 375 D HA -0.119 4.529 4.640 0.012 0.000 0.197 375 D C 1.934 178.207 176.300 -0.045 0.000 0.984 375 D CA 1.055 55.159 54.000 0.173 0.000 0.826 375 D CB -0.156 40.724 40.800 0.132 0.000 0.973 375 D HN 0.356 nan 8.370 nan 0.000 0.460 376 I N 0.665 121.188 120.570 -0.077 0.000 2.226 376 I HA -0.230 3.947 4.170 0.012 0.000 0.245 376 I C 2.385 178.363 176.117 -0.232 0.000 1.100 376 I CA 0.602 61.744 61.300 -0.265 0.000 1.374 376 I CB -0.120 37.589 38.000 -0.484 0.000 1.057 376 I HN 0.011 nan 8.210 nan 0.000 0.413 377 L N 0.175 121.298 121.223 -0.166 0.000 2.017 377 L HA -0.244 4.103 4.340 0.012 0.000 0.208 377 L C 2.566 179.501 176.870 0.109 0.000 1.073 377 L CA 1.497 56.331 54.840 -0.011 0.000 0.745 377 L CB -0.621 41.464 42.059 0.043 0.000 0.894 377 L HN 0.272 nan 8.230 nan 0.000 0.432 378 L N -1.059 120.258 121.223 0.157 0.000 2.083 378 L HA -0.240 4.108 4.340 0.012 0.000 0.209 378 L C 2.663 179.705 176.870 0.285 0.000 1.083 378 L CA 1.229 56.246 54.840 0.296 0.000 0.752 378 L CB -0.320 42.032 42.059 0.488 0.000 0.899 378 L HN 0.303 nan 8.230 nan 0.000 0.433 379 M N -0.600 118.991 119.600 -0.015 0.000 2.067 379 M HA -0.232 4.256 4.480 0.012 0.000 0.260 379 M C 2.303 178.681 176.300 0.131 0.000 1.069 379 M CA 1.874 57.092 55.300 -0.138 0.000 1.117 379 M CB -0.281 32.010 32.600 -0.514 0.000 1.334 379 M HN 0.062 nan 8.290 nan 0.000 0.407 380 K N -0.094 120.296 120.400 -0.018 0.000 2.057 380 K HA -0.174 4.154 4.320 0.012 0.000 0.207 380 K C 1.950 178.560 176.600 0.016 0.000 1.049 380 K CA 1.282 57.473 56.287 -0.160 0.000 0.931 380 K CB -0.227 31.995 32.500 -0.463 0.000 0.714 380 K HN 0.443 nan 8.250 nan 0.000 0.440 381 Q N 0.382 120.344 119.800 0.269 0.000 2.364 381 Q HA -0.056 4.292 4.340 0.012 0.000 0.209 381 Q C 0.756 177.064 176.000 0.513 0.000 0.977 381 Q CA 0.756 56.835 55.803 0.459 0.000 0.885 381 Q CB 0.110 29.090 28.738 0.403 0.000 0.941 381 Q HN 0.281 nan 8.270 nan 0.000 0.464 382 N N 0.486 119.433 118.700 0.412 0.000 2.273 382 N HA 0.055 4.803 4.740 0.012 0.000 0.231 382 N C -0.639 174.978 175.510 0.178 0.000 1.134 382 N CA 0.008 53.290 53.050 0.386 0.000 0.856 382 N CB 0.718 39.512 38.487 0.511 0.000 1.068 382 N HN 0.149 nan 8.380 nan 0.000 0.510 383 N N 0.270 119.084 118.700 0.190 0.000 2.741 383 N HA -0.184 4.563 4.740 0.012 0.000 0.250 383 N C -0.875 174.562 175.510 -0.122 0.000 1.115 383 N CA 0.804 53.919 53.050 0.109 0.000 0.724 383 N CB -1.735 36.741 38.487 -0.018 0.000 1.090 383 N HN 0.251 nan 8.380 nan 0.000 0.558 384 F N 1.086 121.060 119.950 0.041 0.000 2.375 384 F HA 0.291 4.825 4.527 0.012 0.000 0.333 384 F C 1.801 177.600 175.800 -0.002 0.000 1.104 384 F CA -0.562 57.444 58.000 0.010 0.000 1.149 384 F CB 0.796 39.776 39.000 -0.034 0.000 1.190 384 F HN 0.050 nan 8.300 nan 0.000 0.533 385 N N 0.713 119.533 118.700 0.201 0.000 2.159 385 N HA 0.430 5.177 4.740 0.012 0.000 0.217 385 N C -0.837 174.739 175.510 0.111 0.000 1.223 385 N CA 0.011 53.112 53.050 0.086 0.000 0.896 385 N CB 0.744 39.326 38.487 0.159 0.000 1.064 385 N HN 0.470 nan 8.380 nan 0.000 0.518 386 A N -0.522 122.436 122.820 0.230 0.000 2.594 386 A HA 0.741 5.068 4.320 0.012 0.000 0.295 386 A C -1.798 176.025 177.584 0.397 0.000 1.071 386 A CA -0.703 51.537 52.037 0.338 0.000 0.685 386 A CB 1.832 21.053 19.000 0.369 0.000 1.285 386 A HN 0.212 nan 8.150 nan 0.000 0.405 387 V N 1.311 121.502 119.914 0.462 0.000 2.808 387 V HA 0.790 4.918 4.120 0.012 0.000 0.308 387 V C -0.609 175.603 176.094 0.197 0.000 1.099 387 V CA -0.670 61.837 62.300 0.345 0.000 0.920 387 V CB 1.857 33.817 31.823 0.228 0.000 1.014 387 V HN 1.135 nan 8.190 nan 0.000 0.425 388 R N 4.911 125.352 120.500 -0.100 0.000 2.393 388 R HA 0.499 4.846 4.340 0.012 0.000 0.310 388 R C -0.732 175.410 176.300 -0.264 0.000 0.968 388 R CA -0.450 55.412 56.100 -0.397 0.000 0.867 388 R CB 1.209 31.053 30.300 -0.760 0.000 1.124 388 R HN 0.792 nan 8.270 nan 0.000 0.450 389 C N 4.466 123.644 119.300 -0.203 0.000 2.896 389 C HA 0.135 4.603 4.460 0.012 0.000 0.499 389 C C 0.383 175.089 174.990 -0.473 0.000 1.022 389 C CA -0.441 58.410 59.018 -0.279 0.000 1.127 389 C CB -2.033 25.665 27.740 -0.069 0.000 1.452 389 C HN 0.732 nan 8.230 nan 0.000 0.580 390 S N 1.520 116.816 115.700 -0.673 0.000 2.488 390 S HA 0.185 4.663 4.470 0.012 0.000 0.278 390 S C -0.139 173.574 174.600 -1.478 0.000 1.259 390 S CA 0.093 57.648 58.200 -1.074 0.000 1.061 390 S CB 0.174 62.694 63.200 -1.132 0.000 0.910 390 S HN 0.729 nan 8.310 nan 0.000 0.491 391 H N 3.690 122.199 119.070 -0.934 0.000 2.379 391 H HA 0.333 4.897 4.556 0.012 0.000 0.229 391 H C -1.162 174.078 175.328 -0.146 0.000 1.423 391 H CA -0.348 55.514 56.048 -0.311 0.000 1.375 391 H CB -0.141 29.628 29.762 0.013 0.000 1.592 391 H HN 0.895 nan 8.280 nan 0.000 0.507 392 Y N -2.803 117.605 120.300 0.180 0.000 2.765 392 Y HA 0.360 4.918 4.550 0.013 0.000 0.350 392 Y C -3.349 172.660 175.900 0.182 0.000 1.196 392 Y CA -2.932 55.281 58.100 0.188 0.000 1.119 392 Y CB 0.009 38.586 38.460 0.195 0.000 1.368 392 Y HN -0.061 nan 8.280 nan 0.000 0.463 393 P HA 0.141 nan 4.420 nan 0.000 0.268 393 P C -0.617 176.972 177.300 0.483 0.000 1.205 393 P CA 0.174 63.524 63.100 0.417 0.000 0.771 393 P CB 0.565 32.444 31.700 0.298 0.000 0.858 394 N N 0.436 119.433 118.700 0.495 0.000 2.447 394 N HA 0.096 4.844 4.740 0.012 0.000 0.271 394 N C 0.082 175.838 175.510 0.409 0.000 1.226 394 N CA -0.600 52.660 53.050 0.349 0.000 0.980 394 N CB 0.358 38.852 38.487 0.013 0.000 1.206 394 N HN 0.602 nan 8.380 nan 0.000 0.558 395 H N 2.224 121.402 119.070 0.181 0.000 3.038 395 H HA -0.005 4.558 4.556 0.012 0.000 0.338 395 H C -1.629 173.867 175.328 0.280 0.000 1.041 395 H CA -0.704 55.434 56.048 0.150 0.000 1.394 395 H CB 1.001 30.819 29.762 0.093 0.000 1.357 395 H HN 0.440 nan 8.280 nan 0.000 0.600 396 P HA -0.197 nan 4.420 nan 0.000 0.218 396 P C 1.821 179.433 177.300 0.520 0.000 1.148 396 P CA 0.696 64.041 63.100 0.409 0.000 0.822 396 P CB 0.232 32.027 31.700 0.159 0.000 0.784 397 L N -0.962 120.642 121.223 0.635 0.000 2.265 397 L HA -0.047 4.301 4.340 0.012 0.000 0.215 397 L C 2.411 179.462 176.870 0.303 0.000 1.117 397 L CA 1.344 56.430 54.840 0.410 0.000 0.782 397 L CB -1.390 40.862 42.059 0.321 0.000 0.914 397 L HN 0.019 nan 8.230 nan 0.000 0.441 398 W N -0.529 120.804 121.300 0.055 0.000 2.338 398 W HA -0.336 4.332 4.660 0.012 0.000 0.304 398 W C 2.035 178.406 176.519 -0.248 0.000 1.212 398 W CA 1.878 59.120 57.345 -0.172 0.000 1.264 398 W CB -0.333 28.929 29.460 -0.330 0.000 1.142 398 W HN 0.273 nan 8.180 nan 0.000 0.512 399 Y N 0.833 121.077 120.300 -0.093 0.000 2.181 399 Y HA -0.221 4.336 4.550 0.012 0.000 0.288 399 Y C 2.855 178.541 175.900 -0.357 0.000 1.146 399 Y CA 2.170 59.991 58.100 -0.466 0.000 1.164 399 Y CB -1.322 36.515 38.460 -1.038 0.000 0.982 399 Y HN -0.220 nan 8.280 nan 0.000 0.515 400 T N 0.847 115.424 114.554 0.038 0.000 2.684 400 T HA -0.194 4.163 4.350 0.012 0.000 0.267 400 T C 2.018 176.765 174.700 0.078 0.000 1.036 400 T CA 1.656 63.855 62.100 0.164 0.000 1.148 400 T CB -0.643 68.363 68.868 0.231 0.000 0.863 400 T HN 0.232 nan 8.240 nan 0.000 0.436 401 L N 0.282 121.508 121.223 0.006 0.000 2.046 401 L HA -0.108 4.240 4.340 0.012 0.000 0.208 401 L C 2.900 179.736 176.870 -0.056 0.000 1.077 401 L CA 0.985 55.840 54.840 0.026 0.000 0.747 401 L CB -0.715 41.308 42.059 -0.060 0.000 0.896 401 L HN 0.378 nan 8.230 nan 0.000 0.432 402 C N -0.372 118.731 119.300 -0.329 0.000 2.450 402 C HA -0.114 4.354 4.460 0.012 0.000 0.279 402 C C 2.403 177.437 174.990 0.073 0.000 1.335 402 C CA 0.271 59.137 59.018 -0.253 0.000 1.749 402 C CB -0.763 26.719 27.740 -0.430 0.000 1.963 402 C HN 0.531 nan 8.230 nan 0.000 0.501 403 D N 0.594 121.044 120.400 0.085 0.000 2.117 403 D HA -0.100 4.547 4.640 0.012 0.000 0.197 403 D C 2.400 178.910 176.300 0.350 0.000 0.987 403 D CA 1.209 55.338 54.000 0.214 0.000 0.829 403 D CB -0.320 40.567 40.800 0.144 0.000 0.961 403 D HN 0.514 nan 8.370 nan 0.000 0.460 404 R N -1.033 119.573 120.500 0.176 0.000 2.100 404 R HA 0.008 4.355 4.340 0.012 0.000 0.220 404 R C 2.110 178.390 176.300 -0.033 0.000 1.091 404 R CA 0.581 56.722 56.100 0.068 0.000 0.986 404 R CB -0.145 30.127 30.300 -0.047 0.000 0.888 404 R HN 0.282 nan 8.270 nan 0.000 0.444 405 Y N -0.170 120.143 120.300 0.021 0.000 2.420 405 Y HA 0.164 4.721 4.550 0.012 0.000 0.292 405 Y C 0.968 176.803 175.900 -0.108 0.000 1.119 405 Y CA 0.759 58.845 58.100 -0.024 0.000 1.229 405 Y CB 0.696 39.113 38.460 -0.071 0.000 1.026 405 Y HN 0.230 nan 8.280 nan 0.000 0.554 406 G N 1.207 110.046 108.800 0.064 0.000 2.830 406 G HA2 -0.143 3.825 3.960 0.012 0.000 0.298 406 G HA3 -0.143 3.825 3.960 0.012 0.000 0.298 406 G C -1.196 173.555 174.900 -0.247 0.000 1.031 406 G CA -0.564 44.445 45.100 -0.152 0.000 1.179 406 G HN 0.162 nan 8.290 nan 0.000 0.527 407 L N 1.042 122.193 121.223 -0.118 0.000 2.455 407 L HA 0.498 4.846 4.340 0.012 0.000 0.264 407 L C -0.043 176.840 176.870 0.021 0.000 0.968 407 L CA -1.270 53.463 54.840 -0.178 0.000 0.827 407 L CB 2.064 44.041 42.059 -0.136 0.000 1.317 407 L HN 0.479 nan 8.230 nan 0.000 0.407 408 Y N 1.688 122.126 120.300 0.229 0.000 2.359 408 Y HA 0.403 4.962 4.550 0.014 0.000 0.330 408 Y C 0.161 176.195 175.900 0.223 0.000 1.143 408 Y CA -0.706 57.565 58.100 0.285 0.000 1.318 408 Y CB 1.466 40.068 38.460 0.235 0.000 1.234 408 Y HN 0.153 nan 8.280 nan 0.000 0.522 409 V N 4.244 124.353 119.914 0.325 0.000 2.604 409 V HA 0.298 4.425 4.120 0.012 0.000 0.305 409 V C -0.617 175.558 176.094 0.134 0.000 1.043 409 V CA -1.002 61.424 62.300 0.211 0.000 0.888 409 V CB 1.902 33.811 31.823 0.144 0.000 0.995 409 V HN 0.445 nan 8.190 nan 0.000 0.429 410 V N 3.335 123.292 119.914 0.071 0.000 2.333 410 V HA 0.327 4.455 4.120 0.012 0.000 0.274 410 V C -0.272 175.851 176.094 0.047 0.000 1.028 410 V CA -0.336 61.958 62.300 -0.010 0.000 0.851 410 V CB 1.425 33.138 31.823 -0.183 0.000 1.000 410 V HN 0.865 nan 8.190 nan 0.000 0.456 411 D N 4.246 124.716 120.400 0.117 0.000 2.249 411 D HA 0.306 4.953 4.640 0.012 0.000 0.246 411 D C -0.245 176.244 176.300 0.315 0.000 1.114 411 D CA -0.105 54.062 54.000 0.278 0.000 0.854 411 D CB 1.341 42.348 40.800 0.345 0.000 1.132 411 D HN 0.686 nan 8.370 nan 0.000 0.461 412 E N 1.925 122.278 120.200 0.254 0.000 2.199 412 E HA 0.610 4.967 4.350 0.012 0.000 0.265 412 E C -0.955 175.787 176.600 0.237 0.000 0.882 412 E CA -1.033 55.502 56.400 0.226 0.000 0.759 412 E CB 1.337 31.122 29.700 0.141 0.000 1.148 412 E HN 0.465 nan 8.360 nan 0.000 0.412 413 A N 3.903 126.856 122.820 0.221 0.000 2.483 413 A HA 0.039 4.366 4.320 0.012 0.000 0.238 413 A C 0.337 178.051 177.584 0.217 0.000 1.070 413 A CA -0.191 51.956 52.037 0.182 0.000 0.770 413 A CB 0.146 19.218 19.000 0.119 0.000 1.008 413 A HN 0.698 nan 8.150 nan 0.000 0.497 414 N N 1.196 120.029 118.700 0.223 0.000 3.050 414 N HA 0.282 5.029 4.740 0.012 0.000 0.289 414 N C -1.064 174.577 175.510 0.219 0.000 1.209 414 N CA 0.142 53.357 53.050 0.275 0.000 1.154 414 N CB -0.818 37.828 38.487 0.266 0.000 1.444 414 N HN 0.473 nan 8.380 nan 0.000 0.529 415 I N 0.898 121.591 120.570 0.206 0.000 2.497 415 I HA 0.283 4.460 4.170 0.012 0.000 0.284 415 I C -0.551 175.668 176.117 0.171 0.000 1.060 415 I CA -0.633 60.770 61.300 0.172 0.000 1.071 415 I CB 1.752 39.827 38.000 0.125 0.000 1.216 415 I HN 0.228 nan 8.210 nan 0.000 0.442 416 E N 4.386 124.680 120.200 0.156 0.000 2.287 416 E HA 0.386 4.744 4.350 0.012 0.000 0.274 416 E C -0.614 176.043 176.600 0.096 0.000 0.896 416 E CA -0.493 55.966 56.400 0.099 0.000 0.788 416 E CB 1.638 31.376 29.700 0.063 0.000 1.244 416 E HN 0.606 nan 8.360 nan 0.000 0.408 417 T N 0.662 115.265 114.554 0.080 0.000 3.448 417 T HA 0.164 4.521 4.350 0.012 0.000 0.271 417 T C 0.871 175.609 174.700 0.064 0.000 1.002 417 T CA -0.352 61.823 62.100 0.126 0.000 0.995 417 T CB -0.274 68.656 68.868 0.103 0.000 1.153 417 T HN 0.665 nan 8.240 nan 0.000 0.510 418 H N 1.332 120.307 119.070 -0.157 0.000 2.357 418 H HA -0.076 4.488 4.556 0.013 0.000 0.296 418 H C 2.318 177.521 175.328 -0.209 0.000 1.108 418 H CA 1.392 57.322 56.048 -0.197 0.000 1.273 418 H CB -0.203 29.401 29.762 -0.263 0.000 1.367 418 H HN 0.586 nan 8.280 nan 0.000 0.498 419 G N 0.212 108.873 108.800 -0.231 0.000 2.776 419 G HA2 -0.051 3.916 3.960 0.012 0.000 0.209 419 G HA3 -0.051 3.916 3.960 0.012 0.000 0.209 419 G C 0.468 175.481 174.900 0.189 0.000 1.145 419 G CA -0.111 44.890 45.100 -0.166 0.000 0.791 419 G HN 0.158 nan 8.290 nan 0.000 0.530 420 M N 0.225 119.974 119.600 0.248 0.000 2.202 420 M HA 0.347 4.835 4.480 0.012 0.000 0.316 420 M C -0.367 175.968 176.300 0.059 0.000 1.138 420 M CA -0.308 55.090 55.300 0.164 0.000 1.151 420 M CB 1.457 34.109 32.600 0.086 0.000 1.422 420 M HN -0.212 nan 8.290 nan 0.000 0.471 421 V N 3.574 123.501 119.914 0.021 0.000 2.482 421 V HA 0.368 4.496 4.120 0.012 0.000 0.295 421 V C -1.938 174.148 176.094 -0.014 0.000 1.026 421 V CA -1.320 60.978 62.300 -0.003 0.000 0.856 421 V CB 1.859 33.675 31.823 -0.012 0.000 1.001 421 V HN 0.738 nan 8.190 nan 0.000 0.424 422 P HA 0.190 nan 4.420 nan 0.000 0.274 422 P C 0.880 178.181 177.300 0.002 0.000 1.260 422 P CA -0.408 62.686 63.100 -0.009 0.000 0.793 422 P CB 1.044 32.740 31.700 -0.007 0.000 1.048 423 M N 0.575 120.180 119.600 0.010 0.000 2.374 423 M HA -0.136 4.351 4.480 0.012 0.000 0.264 423 M C 1.144 177.464 176.300 0.034 0.000 1.067 423 M CA 1.497 56.812 55.300 0.025 0.000 1.103 423 M CB -0.442 32.162 32.600 0.007 0.000 1.402 423 M HN 0.347 nan 8.290 nan 0.000 0.444 424 N N -0.064 118.658 118.700 0.037 0.000 2.322 424 N HA -0.071 4.677 4.740 0.012 0.000 0.216 424 N C 1.084 176.581 175.510 -0.021 0.000 1.144 424 N CA 0.122 53.199 53.050 0.044 0.000 0.830 424 N CB -0.733 37.798 38.487 0.073 0.000 1.034 424 N HN 0.359 nan 8.380 nan 0.000 0.484 425 R N 0.343 120.815 120.500 -0.046 0.000 2.105 425 R HA 0.013 4.361 4.340 0.012 0.000 0.239 425 R C 1.381 177.589 176.300 -0.154 0.000 1.135 425 R CA 1.240 57.290 56.100 -0.085 0.000 0.967 425 R CB -0.016 30.230 30.300 -0.090 0.000 0.861 425 R HN 0.293 nan 8.270 nan 0.000 0.442 426 L N -0.631 120.444 121.223 -0.247 0.000 2.168 426 L HA -0.004 4.343 4.340 0.012 0.000 0.203 426 L C 2.454 179.202 176.870 -0.204 0.000 1.078 426 L CA 1.296 55.874 54.840 -0.436 0.000 0.780 426 L CB -0.530 41.033 42.059 -0.827 0.000 0.939 426 L HN 0.339 nan 8.230 nan 0.000 0.451 427 T N -4.248 110.215 114.554 -0.151 0.000 3.051 427 T HA -0.168 4.190 4.350 0.012 0.000 0.269 427 T C 1.231 175.851 174.700 -0.134 0.000 1.127 427 T CA 1.239 63.233 62.100 -0.175 0.000 1.107 427 T CB -0.232 68.487 68.868 -0.249 0.000 0.898 427 T HN 0.127 nan 8.240 nan 0.000 0.517 428 D N 0.980 121.335 120.400 -0.075 0.000 2.349 428 D HA 0.104 4.751 4.640 0.012 0.000 0.214 428 D C -0.242 176.042 176.300 -0.027 0.000 1.063 428 D CA -0.222 53.743 54.000 -0.058 0.000 0.847 428 D CB -0.021 40.751 40.800 -0.046 0.000 0.933 428 D HN 0.316 nan 8.370 nan 0.000 0.513 429 D N -0.101 120.300 120.400 0.002 0.000 2.280 429 D HA 0.126 4.774 4.640 0.012 0.000 0.236 429 D C -1.682 174.670 176.300 0.087 0.000 1.082 429 D CA -2.213 51.824 54.000 0.062 0.000 0.834 429 D CB 2.069 42.950 40.800 0.134 0.000 1.100 429 D HN -0.025 nan 8.370 nan 0.000 0.486 430 P HA -0.088 nan 4.420 nan 0.000 0.225 430 P C 0.905 178.207 177.300 0.002 0.000 1.148 430 P CA 0.530 63.639 63.100 0.014 0.000 0.779 430 P CB 0.377 32.075 31.700 -0.005 0.000 0.780 431 R N -1.587 118.924 120.500 0.018 0.000 2.235 431 R HA -0.046 4.302 4.340 0.012 0.000 0.213 431 R C 1.323 177.489 176.300 -0.224 0.000 1.059 431 R CA 0.901 56.941 56.100 -0.099 0.000 0.997 431 R CB -0.637 29.591 30.300 -0.120 0.000 0.884 431 R HN 0.356 nan 8.270 nan 0.000 0.462 432 W N 0.185 121.432 121.300 -0.089 0.000 3.220 432 W HA 0.161 4.828 4.660 0.012 0.000 0.328 432 W C 1.542 178.003 176.519 -0.095 0.000 1.205 432 W CA -0.571 56.722 57.345 -0.088 0.000 1.773 432 W CB 0.002 29.409 29.460 -0.088 0.000 1.086 432 W HN -0.025 nan 8.180 nan 0.000 0.622 433 L N 2.124 123.371 121.223 0.040 0.000 2.046 433 L HA -0.026 4.322 4.340 0.012 0.000 0.208 433 L C -0.680 176.155 176.870 -0.060 0.000 1.077 433 L CA 2.183 57.011 54.840 -0.020 0.000 0.747 433 L CB -1.527 40.509 42.059 -0.038 0.000 0.896 433 L HN -0.243 nan 8.230 nan 0.000 0.432 434 P HA -0.117 nan 4.420 nan 0.000 0.216 434 P C 1.558 178.801 177.300 -0.094 0.000 1.153 434 P CA 2.022 65.058 63.100 -0.106 0.000 0.848 434 P CB -0.189 31.437 31.700 -0.123 0.000 0.787 435 A N -0.979 121.796 122.820 -0.075 0.000 1.898 435 A HA -0.160 4.168 4.320 0.012 0.000 0.216 435 A C 2.224 179.819 177.584 0.019 0.000 1.181 435 A CA 1.755 53.782 52.037 -0.017 0.000 0.620 435 A CB -1.426 17.595 19.000 0.036 0.000 0.819 435 A HN 0.090 nan 8.150 nan 0.000 0.442 436 M N 0.420 120.041 119.600 0.036 0.000 2.117 436 M HA -0.157 4.331 4.480 0.012 0.000 0.262 436 M C 2.539 178.785 176.300 -0.090 0.000 1.065 436 M CA 1.758 57.055 55.300 -0.005 0.000 1.114 436 M CB -0.416 32.161 32.600 -0.039 0.000 1.361 436 M HN 0.661 nan 8.290 nan 0.000 0.408 437 S N 0.378 115.996 115.700 -0.136 0.000 2.370 437 S HA -0.210 4.267 4.470 0.012 0.000 0.226 437 S C 1.638 176.068 174.600 -0.285 0.000 1.033 437 S CA 1.621 59.671 58.200 -0.250 0.000 1.011 437 S CB -0.671 62.357 63.200 -0.287 0.000 0.852 437 S HN 0.532 nan 8.310 nan 0.000 0.457 438 E N 0.972 121.057 120.200 -0.191 0.000 2.153 438 E HA -0.084 4.273 4.350 0.012 0.000 0.194 438 E C 2.440 178.954 176.600 -0.144 0.000 0.988 438 E CA 0.891 57.186 56.400 -0.175 0.000 0.811 438 E CB -0.113 29.520 29.700 -0.112 0.000 0.746 438 E HN 0.580 nan 8.360 nan 0.000 0.466 439 R N -0.009 120.437 120.500 -0.091 0.000 2.115 439 R HA -0.069 4.278 4.340 0.012 0.000 0.230 439 R C 2.295 178.555 176.300 -0.067 0.000 1.111 439 R CA 0.730 56.808 56.100 -0.036 0.000 0.976 439 R CB -0.009 30.310 30.300 0.031 0.000 0.870 439 R HN 0.021 nan 8.270 nan 0.000 0.445 440 V N 0.326 120.156 119.914 -0.139 0.000 2.331 440 V HA -0.195 3.932 4.120 0.012 0.000 0.242 440 V C 2.516 178.428 176.094 -0.304 0.000 1.034 440 V CA 2.221 64.415 62.300 -0.177 0.000 1.027 440 V CB -0.392 31.311 31.823 -0.200 0.000 0.667 440 V HN 0.531 nan 8.190 nan 0.000 0.457 441 T N -0.922 113.321 114.554 -0.518 0.000 2.821 441 T HA -0.216 4.142 4.350 0.012 0.000 0.267 441 T C 1.918 176.446 174.700 -0.286 0.000 1.046 441 T CA 1.286 62.987 62.100 -0.664 0.000 1.139 441 T CB -0.393 67.874 68.868 -1.002 0.000 0.871 441 T HN 0.397 nan 8.240 nan 0.000 0.454 442 R N 0.198 120.563 120.500 -0.226 0.000 2.189 442 R HA 0.249 4.596 4.340 0.012 0.000 0.218 442 R C 2.574 178.792 176.300 -0.136 0.000 1.074 442 R CA 1.174 57.178 56.100 -0.158 0.000 0.991 442 R CB -0.420 29.795 30.300 -0.141 0.000 0.883 442 R HN 0.500 nan 8.270 nan 0.000 0.457 443 M N 0.423 119.950 119.600 -0.122 0.000 2.156 443 M HA -0.112 4.375 4.480 0.012 0.000 0.264 443 M C 1.743 177.964 176.300 -0.132 0.000 1.067 443 M CA 1.569 56.830 55.300 -0.066 0.000 1.131 443 M CB 0.175 32.777 32.600 0.004 0.000 1.368 443 M HN -0.041 nan 8.290 nan 0.000 0.416 444 V N 1.082 120.816 119.914 -0.300 0.000 2.358 444 V HA -0.265 3.862 4.120 0.012 0.000 0.246 444 V C 2.259 178.229 176.094 -0.207 0.000 1.047 444 V CA 1.909 63.893 62.300 -0.527 0.000 1.035 444 V CB -0.932 30.524 31.823 -0.612 0.000 0.658 444 V HN 0.585 nan 8.190 nan 0.000 0.452 445 Q N -0.540 119.179 119.800 -0.135 0.000 2.226 445 Q HA -0.217 4.130 4.340 0.012 0.000 0.204 445 Q C 2.429 178.332 176.000 -0.162 0.000 0.975 445 Q CA 1.452 57.179 55.803 -0.126 0.000 0.866 445 Q CB -0.162 28.527 28.738 -0.082 0.000 0.915 445 Q HN 0.551 nan 8.270 nan 0.000 0.440 446 R N 0.218 120.622 120.500 -0.160 0.000 2.112 446 R HA -0.065 4.282 4.340 0.012 0.000 0.216 446 R C 0.343 176.567 176.300 -0.127 0.000 1.080 446 R CA 1.078 57.063 56.100 -0.191 0.000 0.996 446 R CB 0.532 30.720 30.300 -0.187 0.000 0.902 446 R HN 0.090 nan 8.270 nan 0.000 0.449 447 D N -0.183 120.206 120.400 -0.018 0.000 2.431 447 D HA 0.021 4.669 4.640 0.012 0.000 0.213 447 D C 1.141 177.553 176.300 0.186 0.000 1.130 447 D CA 0.016 54.049 54.000 0.056 0.000 0.834 447 D CB 0.416 41.203 40.800 -0.021 0.000 0.985 447 D HN 0.337 nan 8.370 nan 0.000 0.504 448 R N 0.373 120.985 120.500 0.187 0.000 2.241 448 R HA 0.021 4.369 4.340 0.012 0.000 0.224 448 R C 0.647 176.950 176.300 0.005 0.000 1.101 448 R CA 0.864 57.090 56.100 0.211 0.000 0.995 448 R CB -0.211 30.142 30.300 0.089 0.000 0.870 448 R HN -0.112 nan 8.270 nan 0.000 0.463 449 N N 0.322 118.951 118.700 -0.118 0.000 2.270 449 N HA 0.014 4.761 4.740 0.012 0.000 0.198 449 N C -0.634 174.763 175.510 -0.189 0.000 1.117 449 N CA 0.190 53.149 53.050 -0.153 0.000 0.845 449 N CB 0.140 38.506 38.487 -0.203 0.000 0.980 449 N HN 0.265 nan 8.380 nan 0.000 0.486 450 H N 1.262 120.270 119.070 -0.104 0.000 2.668 450 H HA 0.123 4.686 4.556 0.012 0.000 0.303 450 H C -1.194 173.984 175.328 -0.250 0.000 1.074 450 H CA -1.455 54.515 56.048 -0.129 0.000 1.406 450 H CB 1.559 31.278 29.762 -0.072 0.000 1.442 450 H HN 0.036 nan 8.280 nan 0.000 0.482 451 P HA -0.183 nan 4.420 nan 0.000 0.218 451 P C 1.469 178.281 177.300 -0.813 0.000 1.148 451 P CA 1.376 64.096 63.100 -0.633 0.000 0.822 451 P CB 0.257 31.301 31.700 -1.092 0.000 0.784 452 S N -0.770 114.568 115.700 -0.604 0.000 2.399 452 S HA -0.064 4.413 4.470 0.012 0.000 0.231 452 S C 1.139 175.710 174.600 -0.048 0.000 1.022 452 S CA 0.498 58.540 58.200 -0.264 0.000 0.983 452 S CB -1.591 61.601 63.200 -0.014 0.000 0.803 452 S HN -0.043 nan 8.310 nan 0.000 0.480 453 V N 3.691 123.549 119.914 -0.093 0.000 2.446 453 V HA 0.201 4.328 4.120 0.012 0.000 0.276 453 V C 1.126 177.086 176.094 -0.224 0.000 1.030 453 V CA 0.144 62.354 62.300 -0.150 0.000 1.033 453 V CB 0.316 31.957 31.823 -0.303 0.000 0.993 453 V HN 0.634 nan 8.190 nan 0.000 0.477 454 I N 2.644 123.136 120.570 -0.130 0.000 4.187 454 I HA 0.506 4.683 4.170 0.012 0.000 0.326 454 I C 0.376 176.382 176.117 -0.186 0.000 1.302 454 I CA 0.449 61.682 61.300 -0.112 0.000 1.196 454 I CB 0.494 38.511 38.000 0.029 0.000 1.095 454 I HN 0.316 nan 8.210 nan 0.000 0.411 455 I N 0.220 120.655 120.570 -0.224 0.000 2.656 455 I HA 0.358 4.536 4.170 0.012 0.000 0.292 455 I C -1.572 174.441 176.117 -0.173 0.000 1.144 455 I CA -0.390 60.817 61.300 -0.156 0.000 1.038 455 I CB 2.187 40.191 38.000 0.006 0.000 1.244 455 I HN 0.024 nan 8.210 nan 0.000 0.420 456 W N 3.959 125.309 121.300 0.083 0.000 2.496 456 W HA 0.634 5.300 4.660 0.010 0.000 0.327 456 W C 0.402 176.988 176.519 0.111 0.000 1.086 456 W CA -0.616 56.785 57.345 0.092 0.000 1.222 456 W CB 1.726 31.237 29.460 0.084 0.000 1.304 456 W HN 0.321 nan 8.180 nan 0.000 0.547 457 S N 2.409 118.340 115.700 0.386 0.000 2.536 457 S HA 0.441 4.918 4.470 0.012 0.000 0.298 457 S C 0.137 174.911 174.600 0.291 0.000 1.083 457 S CA -0.720 57.659 58.200 0.300 0.000 0.995 457 S CB 0.936 64.265 63.200 0.216 0.000 1.058 457 S HN 0.579 nan 8.310 nan 0.000 0.488 458 L N 3.635 125.029 121.223 0.285 0.000 2.627 458 L HA 0.370 4.718 4.340 0.012 0.000 0.233 458 L C 1.334 178.280 176.870 0.127 0.000 1.144 458 L CA 0.455 55.379 54.840 0.140 0.000 0.892 458 L CB -1.051 40.971 42.059 -0.062 0.000 1.039 458 L HN 1.010 nan 8.230 nan 0.000 0.442 459 G N 0.154 109.115 108.800 0.268 0.000 2.280 459 G HA2 -0.138 3.830 3.960 0.012 0.000 0.277 459 G HA3 -0.138 3.830 3.960 0.012 0.000 0.277 459 G C -1.612 173.493 174.900 0.342 0.000 1.288 459 G CA -0.572 44.688 45.100 0.267 0.000 1.075 459 G HN 0.184 nan 8.290 nan 0.000 0.480 460 N N -0.006 118.829 118.700 0.225 0.000 2.405 460 N HA 0.477 5.224 4.740 0.012 0.000 0.274 460 N C -0.467 174.990 175.510 -0.087 0.000 1.170 460 N CA 0.105 53.138 53.050 -0.029 0.000 0.848 460 N CB 1.636 39.842 38.487 -0.470 0.000 1.629 460 N HN 0.905 nan 8.380 nan 0.000 0.481 461 E N 0.606 120.662 120.200 -0.241 0.000 2.160 461 E HA -0.178 4.180 4.350 0.012 0.000 0.180 461 E C -0.836 175.673 176.600 -0.152 0.000 1.452 461 E CA 0.784 56.964 56.400 -0.368 0.000 0.683 461 E CB -1.231 28.010 29.700 -0.766 0.000 1.072 461 E HN 0.435 nan 8.360 nan 0.000 0.332 462 S N 0.070 115.823 115.700 0.088 0.000 2.941 462 S HA 0.391 4.869 4.470 0.012 0.000 0.251 462 S C 0.636 175.398 174.600 0.269 0.000 1.029 462 S CA -0.177 58.140 58.200 0.195 0.000 1.062 462 S CB 1.379 64.763 63.200 0.306 0.000 0.977 462 S HN 0.846 nan 8.310 nan 0.000 0.552 463 G N 2.045 110.933 108.800 0.148 0.000 2.598 463 G HA2 -0.271 3.696 3.960 0.012 0.000 0.269 463 G HA3 -0.271 3.696 3.960 0.012 0.000 0.269 463 G C -0.475 174.624 174.900 0.330 0.000 1.289 463 G CA 0.001 45.196 45.100 0.159 0.000 0.926 463 G HN 0.664 nan 8.290 nan 0.000 0.567 464 H N 0.346 119.534 119.070 0.196 0.000 2.906 464 H HA 0.570 5.133 4.556 0.012 0.000 0.324 464 H C 0.288 175.778 175.328 0.270 0.000 0.973 464 H CA -0.140 56.066 56.048 0.262 0.000 1.321 464 H CB 0.699 30.551 29.762 0.150 0.000 1.535 464 H HN 1.032 nan 8.280 nan 0.000 0.518 465 G N 1.564 110.504 108.800 0.233 0.000 2.537 465 G HA2 0.451 4.418 3.960 0.012 0.000 0.308 465 G HA3 0.451 4.418 3.960 0.012 0.000 0.308 465 G C 0.604 175.405 174.900 -0.165 0.000 1.237 465 G CA -0.164 44.894 45.100 -0.070 0.000 0.968 465 G HN 0.690 nan 8.290 nan 0.000 0.481 466 A N 0.612 123.343 122.820 -0.148 0.000 2.024 466 A HA -0.099 4.229 4.320 0.012 0.000 0.220 466 A C 2.121 179.678 177.584 -0.045 0.000 1.164 466 A CA 1.801 53.785 52.037 -0.088 0.000 0.643 466 A CB -0.394 18.574 19.000 -0.054 0.000 0.806 466 A HN 0.541 nan 8.150 nan 0.000 0.451 467 N N -0.261 118.378 118.700 -0.101 0.000 2.223 467 N HA -0.145 4.603 4.740 0.012 0.000 0.185 467 N C 1.355 176.799 175.510 -0.110 0.000 1.016 467 N CA 1.673 54.650 53.050 -0.122 0.000 0.863 467 N CB -0.640 37.734 38.487 -0.187 0.000 0.983 467 N HN 0.790 nan 8.380 nan 0.000 0.429 468 H N 0.108 119.165 119.070 -0.022 0.000 2.389 468 H HA -0.004 4.560 4.556 0.012 0.000 0.299 468 H C 1.208 176.604 175.328 0.112 0.000 1.081 468 H CA 1.104 57.147 56.048 -0.009 0.000 1.345 468 H CB 0.205 29.972 29.762 0.007 0.000 1.393 468 H HN 0.165 nan 8.280 nan 0.000 0.520 469 D N 0.351 120.902 120.400 0.252 0.000 2.117 469 D HA -0.119 4.528 4.640 0.012 0.000 0.197 469 D C 2.289 178.734 176.300 0.243 0.000 0.987 469 D CA 1.163 55.308 54.000 0.241 0.000 0.829 469 D CB -0.363 40.539 40.800 0.170 0.000 0.961 469 D HN 0.420 nan 8.370 nan 0.000 0.460 470 A N 0.685 123.600 122.820 0.158 0.000 1.902 470 A HA -0.108 4.219 4.320 0.012 0.000 0.217 470 A C 2.393 180.088 177.584 0.185 0.000 1.181 470 A CA 0.912 53.035 52.037 0.144 0.000 0.623 470 A CB -0.703 18.340 19.000 0.071 0.000 0.818 470 A HN 0.202 nan 8.150 nan 0.000 0.443 471 L N -2.124 119.195 121.223 0.158 0.000 2.156 471 L HA -0.118 4.229 4.340 0.012 0.000 0.208 471 L C 2.546 179.566 176.870 0.251 0.000 1.095 471 L CA 1.352 56.290 54.840 0.163 0.000 0.770 471 L CB -0.622 41.459 42.059 0.038 0.000 0.914 471 L HN 0.619 nan 8.230 nan 0.000 0.439 472 Y N 1.320 121.707 120.300 0.145 0.000 2.128 472 Y HA -0.337 4.219 4.550 0.010 0.000 0.284 472 Y C 2.792 178.776 175.900 0.140 0.000 1.154 472 Y CA 1.827 60.015 58.100 0.146 0.000 1.149 472 Y CB -0.156 38.391 38.460 0.146 0.000 0.976 472 Y HN -0.026 nan 8.280 nan 0.000 0.505 473 R N -0.200 120.433 120.500 0.221 0.000 2.075 473 R HA -0.199 4.148 4.340 0.012 0.000 0.232 473 R C 2.057 178.374 176.300 0.028 0.000 1.126 473 R CA 1.960 58.112 56.100 0.088 0.000 0.963 473 R CB -1.419 29.003 30.300 0.203 0.000 0.858 473 R HN 0.643 nan 8.270 nan 0.000 0.435 474 W N 0.468 121.735 121.300 -0.056 0.000 2.335 474 W HA -0.132 4.536 4.660 0.013 0.000 0.311 474 W C 1.613 178.045 176.519 -0.144 0.000 1.213 474 W CA 1.933 59.228 57.345 -0.084 0.000 1.274 474 W CB -0.230 29.183 29.460 -0.077 0.000 1.148 474 W HN 0.085 nan 8.180 nan 0.000 0.498 475 I N 0.834 121.414 120.570 0.017 0.000 2.252 475 I HA -0.325 3.852 4.170 0.012 0.000 0.245 475 I C 2.382 178.292 176.117 -0.345 0.000 1.102 475 I CA 1.282 62.422 61.300 -0.266 0.000 1.385 475 I CB -0.677 37.244 38.000 -0.132 0.000 1.064 475 I HN -0.110 nan 8.210 nan 0.000 0.414 476 K N 0.645 120.860 120.400 -0.309 0.000 2.211 476 K HA -0.099 4.228 4.320 0.012 0.000 0.204 476 K C 2.211 178.673 176.600 -0.231 0.000 1.047 476 K CA 1.251 57.376 56.287 -0.271 0.000 0.935 476 K CB -0.368 31.932 32.500 -0.332 0.000 0.728 476 K HN 0.281 nan 8.250 nan 0.000 0.452 477 S N 1.002 116.529 115.700 -0.287 0.000 2.362 477 S HA -0.091 4.387 4.470 0.012 0.000 0.221 477 S C 2.212 176.602 174.600 -0.350 0.000 1.032 477 S CA 1.270 59.305 58.200 -0.276 0.000 0.973 477 S CB -0.300 62.736 63.200 -0.273 0.000 0.849 477 S HN 0.306 nan 8.310 nan 0.000 0.465 478 V N 0.171 119.726 119.914 -0.598 0.000 2.719 478 V HA 0.112 4.239 4.120 0.012 0.000 0.252 478 V C 0.279 176.148 176.094 -0.376 0.000 1.065 478 V CA 1.536 63.478 62.300 -0.597 0.000 1.086 478 V CB -0.324 30.892 31.823 -1.011 0.000 0.700 478 V HN 0.319 nan 8.190 nan 0.000 0.467 479 D N 0.189 120.409 120.400 -0.300 0.000 2.364 479 D HA 0.406 5.053 4.640 0.012 0.000 0.251 479 D C -2.333 173.949 176.300 -0.029 0.000 1.282 479 D CA -1.876 52.057 54.000 -0.113 0.000 0.927 479 D CB 1.707 42.521 40.800 0.025 0.000 1.267 479 D HN 0.160 nan 8.370 nan 0.000 0.531 480 P HA -0.003 nan 4.420 nan 0.000 0.242 480 P C 1.033 178.351 177.300 0.030 0.000 1.197 480 P CA 0.442 63.534 63.100 -0.013 0.000 0.765 480 P CB 0.164 31.850 31.700 -0.023 0.000 0.936 481 S N -1.646 114.083 115.700 0.048 0.000 2.562 481 S HA 0.114 4.592 4.470 0.012 0.000 0.221 481 S C 0.833 175.462 174.600 0.049 0.000 0.975 481 S CA -0.101 58.132 58.200 0.054 0.000 0.918 481 S CB -0.283 62.944 63.200 0.045 0.000 0.772 481 S HN 0.049 nan 8.310 nan 0.000 0.531 482 R N 0.915 121.456 120.500 0.069 0.000 2.673 482 R HA 0.559 4.906 4.340 0.012 0.000 0.281 482 R C -3.234 173.113 176.300 0.078 0.000 0.991 482 R CA -2.149 53.957 56.100 0.011 0.000 0.896 482 R CB 1.479 31.675 30.300 -0.173 0.000 1.201 482 R HN 0.116 nan 8.270 nan 0.000 0.457 483 P HA 0.121 nan 4.420 nan 0.000 0.272 483 P C -0.927 176.474 177.300 0.168 0.000 1.230 483 P CA -0.400 62.761 63.100 0.101 0.000 0.788 483 P CB 0.729 32.477 31.700 0.079 0.000 0.949 484 V N 2.129 122.169 119.914 0.211 0.000 2.555 484 V HA 0.431 4.558 4.120 0.012 0.000 0.302 484 V C 0.145 176.424 176.094 0.309 0.000 1.038 484 V CA -0.325 62.150 62.300 0.291 0.000 0.887 484 V CB 1.277 33.242 31.823 0.237 0.000 0.991 484 V HN 0.608 nan 8.190 nan 0.000 0.434 485 Q N 3.504 123.469 119.800 0.275 0.000 2.458 485 Q HA 0.831 5.179 4.340 0.012 0.000 0.282 485 Q C -1.821 174.342 176.000 0.270 0.000 1.106 485 Q CA -0.956 54.974 55.803 0.212 0.000 0.814 485 Q CB 3.002 31.811 28.738 0.119 0.000 1.425 485 Q HN 0.630 nan 8.270 nan 0.000 0.437 486 Y N -0.068 120.243 120.300 0.020 0.000 2.318 486 Y HA 0.108 4.665 4.550 0.011 0.000 0.317 486 Y C -0.658 175.184 175.900 -0.098 0.000 1.290 486 Y CA -0.721 57.358 58.100 -0.036 0.000 1.177 486 Y CB 1.731 40.158 38.460 -0.054 0.000 1.307 486 Y HN 0.957 nan 8.280 nan 0.000 0.428 487 E N 3.379 123.075 120.200 -0.839 0.000 2.318 487 E HA 0.127 4.484 4.350 0.012 0.000 0.193 487 E C 0.712 176.874 176.600 -0.730 0.000 0.998 487 E CA 0.827 56.854 56.400 -0.622 0.000 0.859 487 E CB 0.250 29.721 29.700 -0.381 0.000 0.812 487 E HN 0.876 nan 8.360 nan 0.000 0.492 488 G N -0.264 107.718 108.800 -1.363 0.000 2.559 488 G HA2 0.252 4.219 3.960 0.012 0.000 0.235 488 G HA3 0.252 4.219 3.960 0.012 0.000 0.235 488 G C 0.769 175.529 174.900 -0.234 0.000 1.266 488 G CA 0.265 44.991 45.100 -0.623 0.000 0.847 488 G HN 0.336 nan 8.290 nan 0.000 0.583 489 G N -0.688 108.074 108.800 -0.064 0.000 2.160 489 G HA2 0.235 4.202 3.960 0.012 0.000 0.251 489 G HA3 0.235 4.202 3.960 0.012 0.000 0.251 489 G C 1.256 176.167 174.900 0.019 0.000 1.008 489 G CA 0.990 46.115 45.100 0.042 0.000 0.724 489 G HN 2.617 nan 8.290 nan 0.000 0.514 490 G N -1.508 107.296 108.800 0.006 0.000 2.192 490 G HA2 0.421 4.388 3.960 0.012 0.000 0.193 490 G HA3 0.421 4.388 3.960 0.012 0.000 0.193 490 G C 1.105 176.140 174.900 0.226 0.000 0.999 490 G CA 1.261 46.429 45.100 0.114 0.000 0.659 490 G HN 2.350 nan 8.290 nan 0.000 0.503 491 A N -0.265 122.568 122.820 0.021 0.000 3.413 491 A HA -0.118 4.209 4.320 0.012 0.000 0.268 491 A C 1.112 178.645 177.584 -0.085 0.000 1.128 491 A CA 2.661 54.648 52.037 -0.083 0.000 1.062 491 A CB -1.743 17.192 19.000 -0.109 0.000 1.121 491 A HN 2.125 nan 8.150 nan 0.000 0.895 492 D N -1.144 119.287 120.400 0.053 0.000 2.712 492 D HA 0.298 4.945 4.640 0.012 0.000 0.300 492 D C 0.399 176.704 176.300 0.010 0.000 1.521 492 D CA 0.792 54.824 54.000 0.054 0.000 0.790 492 D CB -1.184 39.800 40.800 0.306 0.000 1.155 492 D HN 0.812 nan 8.370 nan 0.000 0.456 493 T N -2.266 112.225 114.554 -0.105 0.000 2.689 493 T HA 0.201 4.558 4.350 0.012 0.000 0.308 493 T C 1.554 176.124 174.700 -0.216 0.000 1.021 493 T CA 0.475 62.441 62.100 -0.225 0.000 0.973 493 T CB 0.778 69.256 68.868 -0.649 0.000 1.113 493 T HN 0.087 nan 8.240 nan 0.000 0.522 494 T N -2.687 111.738 114.554 -0.214 0.000 3.160 494 T HA 0.280 4.637 4.350 0.012 0.000 0.257 494 T C 1.397 175.857 174.700 -0.400 0.000 1.147 494 T CA 0.149 62.131 62.100 -0.197 0.000 1.064 494 T CB -0.464 68.374 68.868 -0.050 0.000 0.949 494 T HN 0.830 nan 8.240 nan 0.000 0.526 495 A N 0.531 123.128 122.820 -0.371 0.000 2.507 495 A HA 0.530 4.858 4.320 0.012 0.000 0.270 495 A C 0.741 178.171 177.584 -0.257 0.000 1.318 495 A CA -0.378 51.421 52.037 -0.396 0.000 0.924 495 A CB 0.041 19.058 19.000 0.029 0.000 1.061 495 A HN 0.420 nan 8.150 nan 0.000 0.516 496 T N -1.388 113.021 114.554 -0.242 0.000 2.952 496 T HA 0.355 4.713 4.350 0.012 0.000 0.305 496 T C -0.623 174.105 174.700 0.046 0.000 1.064 496 T CA -0.431 61.677 62.100 0.014 0.000 1.008 496 T CB 1.215 70.081 68.868 -0.005 0.000 1.078 496 T HN 0.089 nan 8.240 nan 0.000 0.459 497 D N 2.916 123.428 120.400 0.188 0.000 2.347 497 D HA 0.257 4.905 4.640 0.012 0.000 0.213 497 D C 0.378 176.713 176.300 0.059 0.000 0.985 497 D CA 0.742 54.834 54.000 0.153 0.000 0.879 497 D CB 0.388 41.306 40.800 0.196 0.000 0.919 497 D HN 0.545 nan 8.370 nan 0.000 0.526 498 I N 0.920 121.506 120.570 0.026 0.000 2.545 498 I HA 0.253 4.430 4.170 0.012 0.000 0.292 498 I C -0.190 175.864 176.117 -0.105 0.000 1.040 498 I CA -0.884 60.395 61.300 -0.033 0.000 1.068 498 I CB 2.839 40.831 38.000 -0.012 0.000 1.251 498 I HN -0.354 nan 8.210 nan 0.000 0.424 499 I N 5.713 126.173 120.570 -0.183 0.000 2.436 499 I HA 0.056 4.234 4.170 0.012 0.000 0.289 499 I C 0.194 176.101 176.117 -0.351 0.000 1.083 499 I CA 0.006 61.100 61.300 -0.344 0.000 1.372 499 I CB 0.195 37.885 38.000 -0.516 0.000 1.408 499 I HN 0.688 nan 8.210 nan 0.000 0.516 500 C N 5.546 124.656 119.300 -0.316 0.000 3.290 500 C HA 0.458 4.925 4.460 0.012 0.000 0.206 500 C C -2.155 172.702 174.990 -0.222 0.000 1.639 500 C CA -2.286 56.601 59.018 -0.218 0.000 1.408 500 C CB -0.938 26.735 27.740 -0.112 0.000 2.197 500 C HN 0.412 nan 8.230 nan 0.000 0.508 501 P HA 0.281 nan 4.420 nan 0.000 0.272 501 P C -0.409 176.837 177.300 -0.090 0.000 1.240 501 P CA 0.449 63.446 63.100 -0.171 0.000 0.791 501 P CB 0.732 32.341 31.700 -0.152 0.000 0.978 502 M N 0.209 119.778 119.600 -0.052 0.000 2.181 502 M HA 0.438 4.926 4.480 0.012 0.000 0.323 502 M C -0.734 175.534 176.300 -0.054 0.000 1.004 502 M CA -0.718 54.430 55.300 -0.253 0.000 0.941 502 M CB 1.199 33.627 32.600 -0.287 0.000 1.579 502 M HN 0.342 nan 8.290 nan 0.000 0.427 503 Y N -0.327 120.144 120.300 0.285 0.000 4.409 503 Y HA -0.221 4.337 4.550 0.013 0.000 0.228 503 Y C 0.525 176.601 175.900 0.294 0.000 1.108 503 Y CA 0.362 58.632 58.100 0.284 0.000 1.955 503 Y CB -2.152 36.448 38.460 0.234 0.000 1.615 503 Y HN 0.969 nan 8.280 nan 0.000 0.665 504 A N 1.063 124.105 122.820 0.369 0.000 2.425 504 A HA 0.599 4.927 4.320 0.012 0.000 0.249 504 A C 0.708 178.519 177.584 0.378 0.000 1.084 504 A CA -0.455 51.805 52.037 0.372 0.000 0.781 504 A CB 0.440 19.704 19.000 0.439 0.000 1.019 504 A HN 0.428 nan 8.150 nan 0.000 0.490 505 R N 1.209 121.860 120.500 0.252 0.000 2.541 505 R HA 0.345 4.693 4.340 0.012 0.000 0.263 505 R C 1.002 177.280 176.300 -0.037 0.000 1.112 505 R CA -0.720 55.460 56.100 0.134 0.000 1.170 505 R CB 0.499 30.841 30.300 0.069 0.000 1.167 505 R HN 0.471 nan 8.270 nan 0.000 0.582 506 V N 0.539 120.261 119.914 -0.320 0.000 2.323 506 V HA -0.179 3.948 4.120 0.012 0.000 0.244 506 V C 0.912 176.892 176.094 -0.190 0.000 1.041 506 V CA 1.851 63.931 62.300 -0.368 0.000 1.025 506 V CB -0.255 31.218 31.823 -0.584 0.000 0.656 506 V HN 0.727 nan 8.190 nan 0.000 0.451 507 D N -1.427 118.893 120.400 -0.134 0.000 2.473 507 D HA 0.099 4.747 4.640 0.012 0.000 0.230 507 D C 0.895 177.180 176.300 -0.025 0.000 1.097 507 D CA 0.061 54.017 54.000 -0.073 0.000 0.861 507 D CB 0.695 41.456 40.800 -0.065 0.000 1.114 507 D HN 0.469 nan 8.370 nan 0.000 0.500 508 E N 1.953 122.141 120.200 -0.019 0.000 2.167 508 E HA 0.104 4.461 4.350 0.012 0.000 0.284 508 E C -0.793 175.807 176.600 -0.001 0.000 1.016 508 E CA -0.569 55.828 56.400 -0.005 0.000 0.817 508 E CB 0.899 30.596 29.700 -0.004 0.000 1.080 508 E HN -0.174 nan 8.360 nan 0.000 0.397 509 D N 3.609 124.010 120.400 0.002 0.000 2.339 509 D HA 0.126 4.774 4.640 0.012 0.000 0.245 509 D C -0.578 175.610 176.300 -0.186 0.000 1.115 509 D CA 0.215 54.206 54.000 -0.014 0.000 0.917 509 D CB 1.121 41.983 40.800 0.102 0.000 1.192 509 D HN 0.427 nan 8.370 nan 0.000 0.428 510 Q N 1.314 120.866 119.800 -0.412 0.000 2.616 510 Q HA 0.250 4.598 4.340 0.012 0.000 0.250 510 Q C -2.242 173.080 176.000 -1.129 0.000 0.991 510 Q CA -1.486 53.863 55.803 -0.756 0.000 0.707 510 Q CB 2.544 30.803 28.738 -0.800 0.000 1.247 510 Q HN 0.157 nan 8.270 nan 0.000 0.491 511 P HA 0.017 nan 4.420 nan 0.000 0.218 511 P C -0.631 176.357 177.300 -0.521 0.000 1.793 511 P CA -0.087 62.568 63.100 -0.743 0.000 0.941 511 P CB -0.518 30.958 31.700 -0.374 0.000 1.919 512 F N 1.702 121.475 119.950 -0.294 0.000 2.589 512 F HA 0.122 4.656 4.527 0.012 0.000 0.352 512 F C -1.200 174.491 175.800 -0.182 0.000 1.168 512 F CA -2.160 55.727 58.000 -0.189 0.000 1.353 512 F CB -0.600 38.301 39.000 -0.164 0.000 1.116 512 F HN 0.045 nan 8.300 nan 0.000 0.608 513 P HA 0.164 nan 4.420 nan 0.000 0.271 513 P C 0.197 177.513 177.300 0.027 0.000 1.216 513 P CA 0.895 64.012 63.100 0.029 0.000 0.776 513 P CB 1.286 33.002 31.700 0.026 0.000 0.881 514 A N 2.752 125.580 122.820 0.014 0.000 2.617 514 A HA -0.245 4.082 4.320 0.012 0.000 0.236 514 A C 0.747 178.340 177.584 0.016 0.000 0.514 514 A CA 2.071 54.120 52.037 0.021 0.000 1.126 514 A CB -2.707 16.306 19.000 0.022 0.000 1.393 514 A HN 0.678 nan 8.150 nan 0.000 0.693 515 V N -2.841 117.079 119.914 0.009 0.000 2.454 515 V HA 0.567 4.695 4.120 0.012 0.000 0.255 515 V C -2.306 173.784 176.094 -0.007 0.000 1.009 515 V CA -1.326 60.980 62.300 0.010 0.000 1.149 515 V CB 0.529 32.362 31.823 0.015 0.000 1.418 515 V HN 0.479 nan 8.190 nan 0.000 0.567 516 P HA 0.255 nan 4.420 nan 0.000 0.270 516 P C -0.586 176.310 177.300 -0.673 0.000 1.223 516 P CA 0.079 62.817 63.100 -0.605 0.000 0.785 516 P CB 0.993 31.846 31.700 -1.411 0.000 0.923 517 K N 1.921 121.969 120.400 -0.585 0.000 2.423 517 K HA 0.198 4.526 4.320 0.012 0.000 0.234 517 K C -0.406 175.924 176.600 -0.450 0.000 1.051 517 K CA -0.273 55.858 56.287 -0.260 0.000 1.021 517 K CB 0.270 32.871 32.500 0.169 0.000 1.474 517 K HN 0.462 nan 8.250 nan 0.000 0.474 518 W N 1.382 122.353 121.300 -0.548 0.000 2.112 518 W HA 0.014 4.682 4.660 0.014 0.000 0.349 518 W C 1.372 177.905 176.519 0.024 0.000 1.289 518 W CA -0.360 56.775 57.345 -0.351 0.000 1.256 518 W CB 0.392 29.486 29.460 -0.611 0.000 1.148 518 W HN 0.364 nan 8.180 nan 0.000 0.590 519 S N 3.162 119.022 115.700 0.267 0.000 2.561 519 S HA -0.096 4.382 4.470 0.012 0.000 0.294 519 S C 1.205 175.961 174.600 0.259 0.000 1.294 519 S CA -0.074 58.228 58.200 0.171 0.000 1.055 519 S CB 0.174 63.425 63.200 0.084 0.000 0.819 519 S HN 0.497 nan 8.310 nan 0.000 0.503 520 I N 2.185 122.868 120.570 0.188 0.000 2.361 520 I HA -0.117 4.060 4.170 0.012 0.000 0.251 520 I C 2.043 178.188 176.117 0.046 0.000 1.133 520 I CA 1.179 62.591 61.300 0.186 0.000 1.413 520 I CB -0.428 37.623 38.000 0.085 0.000 1.073 520 I HN 0.595 nan 8.210 nan 0.000 0.424 521 K N 1.511 121.836 120.400 -0.125 0.000 2.097 521 K HA -0.146 4.181 4.320 0.012 0.000 0.205 521 K C 2.300 178.893 176.600 -0.012 0.000 1.050 521 K CA 1.488 57.616 56.287 -0.265 0.000 0.938 521 K CB -0.172 32.075 32.500 -0.421 0.000 0.718 521 K HN 0.359 nan 8.250 nan 0.000 0.442 522 K N 0.136 120.557 120.400 0.035 0.000 2.167 522 K HA -0.153 4.174 4.320 0.012 0.000 0.203 522 K C 1.868 178.495 176.600 0.046 0.000 1.052 522 K CA 0.695 56.991 56.287 0.014 0.000 0.956 522 K CB -0.031 32.449 32.500 -0.033 0.000 0.735 522 K HN 0.208 nan 8.250 nan 0.000 0.451 523 W N 2.168 123.451 121.300 -0.028 0.000 2.338 523 W HA -0.183 4.483 4.660 0.010 0.000 0.304 523 W C 1.614 178.116 176.519 -0.028 0.000 1.212 523 W CA 1.086 58.427 57.345 -0.006 0.000 1.264 523 W CB -0.646 28.893 29.460 0.132 0.000 1.142 523 W HN 0.063 nan 8.180 nan 0.000 0.512 524 L N 0.856 122.232 121.223 0.255 0.000 2.127 524 L HA -0.234 4.113 4.340 0.012 0.000 0.211 524 L C 2.161 179.098 176.870 0.111 0.000 1.089 524 L CA 1.915 56.841 54.840 0.142 0.000 0.757 524 L CB -0.898 41.232 42.059 0.118 0.000 0.899 524 L HN -0.005 nan 8.230 nan 0.000 0.434 525 S N -1.514 114.238 115.700 0.085 0.000 2.568 525 S HA 0.271 4.748 4.470 0.012 0.000 0.232 525 S C 0.524 175.117 174.600 -0.013 0.000 0.975 525 S CA -0.550 57.671 58.200 0.036 0.000 0.949 525 S CB -0.348 62.872 63.200 0.034 0.000 0.829 525 S HN 0.139 nan 8.310 nan 0.000 0.479 526 L N 2.062 123.268 121.223 -0.029 0.000 2.506 526 L HA 0.230 4.577 4.340 0.012 0.000 0.281 526 L C -2.233 174.607 176.870 -0.049 0.000 1.228 526 L CA -1.747 53.027 54.840 -0.109 0.000 0.850 526 L CB -0.329 41.640 42.059 -0.150 0.000 1.110 526 L HN 0.017 nan 8.230 nan 0.000 0.496 527 P HA -0.046 nan 4.420 nan 0.000 0.258 527 P C 0.745 178.039 177.300 -0.009 0.000 1.172 527 P CA 1.143 64.222 63.100 -0.035 0.000 0.762 527 P CB 0.442 32.115 31.700 -0.045 0.000 0.764 528 G N 1.812 110.613 108.800 0.002 0.000 2.205 528 G HA2 -0.273 3.694 3.960 0.012 0.000 0.261 528 G HA3 -0.273 3.694 3.960 0.012 0.000 0.261 528 G C 0.262 175.179 174.900 0.028 0.000 0.980 528 G CA 0.133 45.242 45.100 0.015 0.000 0.632 528 G HN 0.616 nan 8.290 nan 0.000 0.533 529 E N 0.996 121.218 120.200 0.037 0.000 2.313 529 E HA 0.618 4.975 4.350 0.012 0.000 0.276 529 E C 1.306 177.932 176.600 0.042 0.000 1.031 529 E CA 0.618 57.052 56.400 0.056 0.000 0.857 529 E CB 0.836 30.595 29.700 0.098 0.000 1.040 529 E HN 0.527 nan 8.360 nan 0.000 0.408 530 T N 0.518 115.094 114.554 0.036 0.000 3.130 530 T HA 0.333 4.691 4.350 0.012 0.000 0.288 530 T C 0.499 175.209 174.700 0.017 0.000 0.936 530 T CA -0.486 61.630 62.100 0.026 0.000 0.897 530 T CB 0.066 68.949 68.868 0.024 0.000 1.178 530 T HN 0.251 nan 8.240 nan 0.000 0.543 531 R N 2.401 122.907 120.500 0.009 0.000 2.615 531 R HA 0.456 4.803 4.340 0.012 0.000 0.270 531 R C -2.527 173.754 176.300 -0.033 0.000 1.081 531 R CA -1.854 54.240 56.100 -0.009 0.000 1.154 531 R CB 0.106 30.393 30.300 -0.021 0.000 1.063 531 R HN 0.225 nan 8.270 nan 0.000 0.519 532 P HA 0.071 nan 4.420 nan 0.000 0.274 532 P C -1.025 176.207 177.300 -0.113 0.000 1.237 532 P CA -0.114 62.947 63.100 -0.066 0.000 0.793 532 P CB 0.703 32.364 31.700 -0.064 0.000 0.977 533 L N 2.566 123.703 121.223 -0.144 0.000 2.349 533 L HA 0.564 4.911 4.340 0.012 0.000 0.278 533 L C -0.994 175.738 176.870 -0.229 0.000 0.996 533 L CA -0.623 54.092 54.840 -0.208 0.000 0.825 533 L CB 0.554 42.487 42.059 -0.210 0.000 1.243 533 L HN 0.230 nan 8.230 nan 0.000 0.412 534 I N 5.663 126.103 120.570 -0.216 0.000 2.500 534 I HA 0.260 4.438 4.170 0.012 0.000 0.286 534 I C -0.759 175.272 176.117 -0.143 0.000 1.063 534 I CA -0.569 60.590 61.300 -0.236 0.000 1.062 534 I CB 1.973 39.884 38.000 -0.148 0.000 1.223 534 I HN 0.462 nan 8.210 nan 0.000 0.435 535 L N 5.590 126.702 121.223 -0.185 0.000 2.455 535 L HA 0.024 4.372 4.340 0.012 0.000 0.272 535 L C 1.489 178.445 176.870 0.143 0.000 1.174 535 L CA -0.083 54.721 54.840 -0.061 0.000 0.869 535 L CB 0.587 42.597 42.059 -0.081 0.000 1.130 535 L HN 0.867 nan 8.230 nan 0.000 0.474 536 C N 0.159 119.520 119.300 0.102 0.000 2.468 536 C HA 0.145 4.612 4.460 0.012 0.000 0.277 536 C C 0.620 175.759 174.990 0.249 0.000 1.400 536 C CA -0.197 58.929 59.018 0.181 0.000 1.770 536 C CB -1.055 26.701 27.740 0.026 0.000 1.905 536 C HN 0.820 nan 8.230 nan 0.000 0.519 537 E N -0.732 119.539 120.200 0.118 0.000 2.304 537 E HA 0.610 4.967 4.350 0.012 0.000 0.277 537 E C -1.382 175.186 176.600 -0.054 0.000 0.898 537 E CA -0.401 56.062 56.400 0.104 0.000 0.764 537 E CB 1.979 31.558 29.700 -0.202 0.000 1.216 537 E HN 0.678 nan 8.360 nan 0.000 0.419 538 Y N -1.071 119.249 120.300 0.033 0.000 2.689 538 Y HA 0.646 5.204 4.550 0.013 0.000 0.333 538 Y C -0.656 175.423 175.900 0.298 0.000 1.208 538 Y CA -0.914 57.211 58.100 0.040 0.000 1.055 538 Y CB 0.993 39.300 38.460 -0.254 0.000 1.304 538 Y HN 0.654 nan 8.280 nan 0.000 0.455 539 A N 1.896 124.801 122.820 0.143 0.000 2.360 539 A HA -0.258 4.069 4.320 0.012 0.000 0.289 539 A C -0.512 177.192 177.584 0.201 0.000 1.437 539 A CA 1.004 53.108 52.037 0.111 0.000 0.734 539 A CB -2.491 16.470 19.000 -0.065 0.000 1.145 539 A HN 1.090 nan 8.150 nan 0.000 0.374 540 H N 0.861 120.075 119.070 0.240 0.000 3.145 540 H HA 0.315 4.879 4.556 0.012 0.000 0.263 540 H C 1.046 176.427 175.328 0.089 0.000 1.057 540 H CA 0.788 56.991 56.048 0.258 0.000 1.477 540 H CB 0.492 30.280 29.762 0.043 0.000 1.529 540 H HN 0.814 nan 8.280 nan 0.000 0.508 541 A N 6.666 129.366 122.820 -0.201 0.000 2.840 541 A HA 0.073 4.400 4.320 0.012 0.000 0.269 541 A C 0.822 178.221 177.584 -0.309 0.000 1.439 541 A CA -0.406 51.483 52.037 -0.248 0.000 1.083 541 A CB -0.669 18.155 19.000 -0.294 0.000 1.019 541 A HN 0.799 nan 8.150 nan 0.000 0.607 542 M N 1.460 120.901 119.600 -0.265 0.000 2.108 542 M HA 0.460 4.948 4.480 0.012 0.000 0.347 542 M C 0.944 177.106 176.300 -0.231 0.000 1.326 542 M CA 1.205 56.365 55.300 -0.234 0.000 1.126 542 M CB -0.099 32.432 32.600 -0.115 0.000 1.606 542 M HN 0.837 nan 8.290 nan 0.000 0.462 543 G N 4.188 112.856 108.800 -0.220 0.000 2.547 543 G HA2 -0.336 3.631 3.960 0.012 0.000 0.271 543 G HA3 -0.336 3.631 3.960 0.012 0.000 0.271 543 G C -0.300 174.182 174.900 -0.697 0.000 1.209 543 G CA 0.006 44.838 45.100 -0.447 0.000 0.959 543 G HN 0.853 nan 8.290 nan 0.000 0.563 544 N N 1.104 119.228 118.700 -0.959 0.000 2.448 544 N HA 0.506 5.253 4.740 0.012 0.000 0.250 544 N C 0.069 175.358 175.510 -0.368 0.000 1.136 544 N CA 1.060 53.691 53.050 -0.699 0.000 0.953 544 N CB 0.579 38.649 38.487 -0.695 0.000 1.251 544 N HN 0.863 nan 8.380 nan 0.000 0.502 545 S N 2.275 117.843 115.700 -0.219 0.000 2.998 545 S HA 0.601 5.078 4.470 0.012 0.000 0.321 545 S C -0.151 174.397 174.600 -0.088 0.000 1.171 545 S CA -0.327 57.785 58.200 -0.146 0.000 0.882 545 S CB 0.052 63.178 63.200 -0.124 0.000 1.301 545 S HN 0.359 nan 8.310 nan 0.000 0.629 546 L N 0.084 121.284 121.223 -0.038 0.000 4.793 546 L HA -0.053 4.294 4.340 0.012 0.000 0.404 546 L C 0.550 177.471 176.870 0.085 0.000 1.022 546 L CA 0.948 55.791 54.840 0.005 0.000 1.242 546 L CB -1.818 40.158 42.059 -0.139 0.000 2.049 546 L HN 0.749 nan 8.230 nan 0.000 0.637 547 G N -0.772 108.047 108.800 0.032 0.000 2.340 547 G HA2 0.468 4.436 3.960 0.012 0.000 0.245 547 G HA3 0.468 4.436 3.960 0.012 0.000 0.245 547 G C 1.240 176.197 174.900 0.096 0.000 1.294 547 G CA 0.185 45.285 45.100 -0.000 0.000 0.896 547 G HN 1.431 nan 8.290 nan 0.000 0.522 548 G N 1.552 110.403 108.800 0.084 0.000 2.157 548 G HA2 -0.316 3.652 3.960 0.012 0.000 0.248 548 G HA3 -0.316 3.652 3.960 0.012 0.000 0.248 548 G C 0.988 176.084 174.900 0.326 0.000 0.979 548 G CA 0.769 45.972 45.100 0.173 0.000 0.650 548 G HN 0.810 nan 8.290 nan 0.000 0.529 549 F N 1.796 121.878 119.950 0.220 0.000 2.161 549 F HA 0.158 4.693 4.527 0.013 0.000 0.300 549 F C 2.617 178.640 175.800 0.372 0.000 1.089 549 F CA 2.390 60.598 58.000 0.347 0.000 1.282 549 F CB -0.412 38.730 39.000 0.236 0.000 1.010 549 F HN 0.342 nan 8.300 nan 0.000 0.485 550 A N -0.377 122.613 122.820 0.283 0.000 2.070 550 A HA -0.207 4.121 4.320 0.012 0.000 0.220 550 A C 2.275 179.880 177.584 0.036 0.000 1.159 550 A CA 1.565 53.698 52.037 0.159 0.000 0.656 550 A CB -0.782 18.318 19.000 0.168 0.000 0.800 550 A HN 0.447 nan 8.150 nan 0.000 0.453 551 K N -1.543 118.859 120.400 0.003 0.000 2.097 551 K HA -0.169 4.159 4.320 0.012 0.000 0.206 551 K C 1.631 178.000 176.600 -0.385 0.000 1.049 551 K CA 1.547 57.747 56.287 -0.146 0.000 0.933 551 K CB -0.293 32.124 32.500 -0.137 0.000 0.717 551 K HN 0.591 nan 8.250 nan 0.000 0.442 552 Y N -0.970 119.059 120.300 -0.452 0.000 2.163 552 Y HA -0.224 4.333 4.550 0.012 0.000 0.288 552 Y C 1.940 176.891 175.900 -1.582 0.000 1.136 552 Y CA 1.456 58.922 58.100 -1.057 0.000 1.147 552 Y CB -0.249 37.555 38.460 -1.093 0.000 0.987 552 Y HN 0.162 nan 8.280 nan 0.000 0.509 553 W N 0.006 120.892 121.300 -0.691 0.000 2.402 553 W HA -0.184 4.484 4.660 0.014 0.000 0.286 553 W C 2.596 178.951 176.519 -0.274 0.000 1.221 553 W CA 1.410 58.484 57.345 -0.452 0.000 1.257 553 W CB -0.482 28.796 29.460 -0.303 0.000 1.120 553 W HN 0.050 nan 8.180 nan 0.000 0.551 554 Q N 0.796 120.513 119.800 -0.138 0.000 2.119 554 Q HA -0.146 4.201 4.340 0.012 0.000 0.201 554 Q C 2.138 178.078 176.000 -0.101 0.000 0.972 554 Q CA 1.936 57.696 55.803 -0.071 0.000 0.847 554 Q CB -0.495 28.214 28.738 -0.049 0.000 0.903 554 Q HN 0.271 nan 8.270 nan 0.000 0.433 555 A N -0.048 122.615 122.820 -0.261 0.000 1.898 555 A HA -0.088 4.240 4.320 0.012 0.000 0.216 555 A C 2.038 179.586 177.584 -0.060 0.000 1.181 555 A CA 0.975 52.885 52.037 -0.211 0.000 0.620 555 A CB -1.033 17.712 19.000 -0.426 0.000 0.819 555 A HN 0.458 nan 8.150 nan 0.000 0.442 556 F N -0.294 119.475 119.950 -0.301 0.000 2.126 556 F HA -0.219 4.316 4.527 0.012 0.000 0.299 556 F C 2.757 178.456 175.800 -0.169 0.000 1.096 556 F CA 1.196 58.990 58.000 -0.343 0.000 1.255 556 F CB -0.165 38.407 39.000 -0.713 0.000 0.997 556 F HN 0.149 nan 8.300 nan 0.000 0.479 557 R N -0.030 120.516 120.500 0.076 0.000 2.115 557 R HA -0.152 4.196 4.340 0.012 0.000 0.226 557 R C 2.109 178.442 176.300 0.054 0.000 1.100 557 R CA 1.072 57.205 56.100 0.054 0.000 0.980 557 R CB -0.373 29.956 30.300 0.048 0.000 0.875 557 R HN 0.380 nan 8.270 nan 0.000 0.445 558 Q N -0.279 119.581 119.800 0.100 0.000 2.137 558 Q HA -0.061 4.286 4.340 0.012 0.000 0.198 558 Q C -0.434 175.616 176.000 0.082 0.000 0.960 558 Q CA 0.982 56.843 55.803 0.097 0.000 0.847 558 Q CB 0.346 29.176 28.738 0.154 0.000 0.915 558 Q HN 0.175 nan 8.270 nan 0.000 0.448 559 Y N -0.003 120.277 120.300 -0.033 0.000 2.335 559 Y HA 0.268 4.825 4.550 0.011 0.000 0.339 559 Y C -1.790 174.084 175.900 -0.043 0.000 0.987 559 Y CA -2.848 55.233 58.100 -0.031 0.000 1.140 559 Y CB 1.462 39.908 38.460 -0.023 0.000 1.173 559 Y HN 0.115 nan 8.280 nan 0.000 0.486 560 P HA -0.119 nan 4.420 nan 0.000 0.215 560 P C 1.076 178.379 177.300 0.005 0.000 1.153 560 P CA 1.746 64.848 63.100 0.003 0.000 0.853 560 P CB 0.319 32.006 31.700 -0.022 0.000 0.788 561 R N -1.154 119.368 120.500 0.037 0.000 2.307 561 R HA 0.105 4.452 4.340 0.012 0.000 0.199 561 R C 0.443 176.725 176.300 -0.030 0.000 1.000 561 R CA 0.093 56.195 56.100 0.003 0.000 1.023 561 R CB -0.476 29.835 30.300 0.019 0.000 0.908 561 R HN 0.236 nan 8.270 nan 0.000 0.473 562 L N 2.035 123.262 121.223 0.007 0.000 2.312 562 L HA 0.106 4.453 4.340 0.012 0.000 0.287 562 L C 0.556 177.286 176.870 -0.234 0.000 1.091 562 L CA 0.209 55.005 54.840 -0.073 0.000 0.846 562 L CB 1.006 43.093 42.059 0.047 0.000 1.219 562 L HN 0.103 nan 8.230 nan 0.000 0.439 563 Q N 2.865 122.452 119.800 -0.355 0.000 2.201 563 Q HA 0.315 4.662 4.340 0.012 0.000 0.217 563 Q C 0.797 176.377 176.000 -0.700 0.000 0.860 563 Q CA 0.069 55.621 55.803 -0.419 0.000 0.984 563 Q CB 1.001 29.586 28.738 -0.254 0.000 1.095 563 Q HN 0.939 nan 8.270 nan 0.000 0.477 564 G N -0.414 107.571 108.800 -1.359 0.000 2.428 564 G HA2 0.134 4.102 3.960 0.012 0.000 0.202 564 G HA3 0.134 4.102 3.960 0.012 0.000 0.202 564 G C -0.371 173.692 174.900 -1.394 0.000 1.247 564 G CA -0.753 43.217 45.100 -1.883 0.000 1.020 564 G HN 0.545 nan 8.290 nan 0.000 0.529 565 G N -2.229 106.042 108.800 -0.882 0.000 2.349 565 G HA2 0.654 4.621 3.960 0.012 0.000 0.294 565 G HA3 0.654 4.621 3.960 0.012 0.000 0.294 565 G C -1.878 172.965 174.900 -0.095 0.000 1.380 565 G CA -0.359 44.461 45.100 -0.466 0.000 0.811 565 G HN 1.125 nan 8.290 nan 0.000 0.519 566 F N 0.663 120.869 119.950 0.427 0.000 2.427 566 F HA 0.509 5.042 4.527 0.011 0.000 0.348 566 F C 0.755 176.821 175.800 0.443 0.000 1.125 566 F CA -0.746 57.508 58.000 0.423 0.000 0.989 566 F CB 2.132 41.278 39.000 0.243 0.000 1.165 566 F HN 0.252 nan 8.300 nan 0.000 0.442 567 V N 3.415 123.600 119.914 0.453 0.000 2.763 567 V HA -0.155 3.972 4.120 0.012 0.000 0.306 567 V C -0.237 175.965 176.094 0.180 0.000 1.059 567 V CA -0.183 62.175 62.300 0.095 0.000 1.138 567 V CB 0.684 32.578 31.823 0.120 0.000 0.940 567 V HN 0.751 nan 8.190 nan 0.000 0.489 568 W N 6.657 128.019 121.300 0.103 0.000 2.278 568 W HA 0.465 5.132 4.660 0.012 0.000 0.317 568 W C -0.834 175.672 176.519 -0.022 0.000 1.030 568 W CA -0.656 56.788 57.345 0.164 0.000 1.334 568 W CB 1.246 30.980 29.460 0.457 0.000 1.215 568 W HN 0.918 nan 8.180 nan 0.000 0.405 569 D N 2.679 122.716 120.400 -0.605 0.000 2.825 569 D HA 0.087 4.735 4.640 0.012 0.000 0.327 569 D C 0.603 176.652 176.300 -0.418 0.000 1.277 569 D CA -0.583 52.935 54.000 -0.804 0.000 0.950 569 D CB 0.204 39.981 40.800 -1.705 0.000 1.438 569 D HN 0.410 nan 8.370 nan 0.000 0.526 570 W N 0.448 121.424 121.300 -0.539 0.000 2.408 570 W HA 0.143 4.810 4.660 0.013 0.000 0.311 570 W C -0.163 176.146 176.519 -0.350 0.000 1.190 570 W CA 0.992 58.086 57.345 -0.420 0.000 1.321 570 W CB 0.388 29.629 29.460 -0.364 0.000 1.143 570 W HN 0.160 nan 8.180 nan 0.000 0.501 571 V N 2.782 122.481 119.914 -0.359 0.000 2.588 571 V HA 0.238 4.365 4.120 0.012 0.000 0.304 571 V C -0.856 175.066 176.094 -0.285 0.000 1.042 571 V CA -0.773 61.279 62.300 -0.412 0.000 0.877 571 V CB 1.452 33.138 31.823 -0.229 0.000 0.996 571 V HN -0.121 nan 8.190 nan 0.000 0.425 572 D N 4.015 124.250 120.400 -0.276 0.000 2.488 572 D HA 0.104 4.751 4.640 0.012 0.000 0.238 572 D C 0.343 176.508 176.300 -0.225 0.000 1.138 572 D CA 0.661 54.545 54.000 -0.194 0.000 0.873 572 D CB 0.865 41.645 40.800 -0.033 0.000 1.183 572 D HN 0.617 nan 8.370 nan 0.000 0.458 573 Q N 1.143 120.737 119.800 -0.343 0.000 3.122 573 Q HA 0.136 4.483 4.340 0.012 0.000 0.360 573 Q C -0.149 175.808 176.000 -0.071 0.000 1.300 573 Q CA -0.342 55.017 55.803 -0.740 0.000 0.982 573 Q CB 0.067 28.504 28.738 -0.502 0.000 1.534 573 Q HN 0.367 nan 8.270 nan 0.000 0.474 574 S N -0.157 115.614 115.700 0.119 0.000 2.616 574 S HA 0.627 5.104 4.470 0.012 0.000 0.277 574 S C -0.107 174.686 174.600 0.322 0.000 1.234 574 S CA -0.747 57.640 58.200 0.312 0.000 1.028 574 S CB 1.431 64.793 63.200 0.269 0.000 0.988 574 S HN 0.338 nan 8.310 nan 0.000 0.522 575 L N 1.705 123.034 121.223 0.177 0.000 2.354 575 L HA 0.527 4.875 4.340 0.012 0.000 0.269 575 L C -0.478 176.313 176.870 -0.132 0.000 1.005 575 L CA -1.163 53.659 54.840 -0.030 0.000 0.819 575 L CB 1.565 43.510 42.059 -0.190 0.000 1.311 575 L HN 0.561 nan 8.230 nan 0.000 0.423 576 I N 2.354 122.790 120.570 -0.223 0.000 2.474 576 I HA 0.275 4.452 4.170 0.012 0.000 0.287 576 I C 0.133 175.875 176.117 -0.625 0.000 1.048 576 I CA -0.088 60.941 61.300 -0.453 0.000 1.383 576 I CB 1.167 38.903 38.000 -0.440 0.000 1.412 576 I HN 0.579 nan 8.210 nan 0.000 0.531 577 K N 5.180 124.929 120.400 -1.085 0.000 2.350 577 K HA 0.548 4.876 4.320 0.012 0.000 0.241 577 K C -1.541 174.276 176.600 -1.305 0.000 0.994 577 K CA -0.699 54.880 56.287 -1.180 0.000 0.839 577 K CB 2.262 33.791 32.500 -1.619 0.000 1.244 577 K HN 0.260 nan 8.250 nan 0.000 0.443 578 Y N 1.049 121.098 120.300 -0.419 0.000 2.364 578 Y HA 0.118 4.675 4.550 0.012 0.000 0.340 578 Y C 0.165 176.134 175.900 0.115 0.000 0.975 578 Y CA -0.997 57.029 58.100 -0.123 0.000 1.089 578 Y CB 1.299 39.707 38.460 -0.087 0.000 1.192 578 Y HN 0.681 nan 8.280 nan 0.000 0.454 579 D N 0.451 121.084 120.400 0.389 0.000 2.433 579 D HA 0.030 4.677 4.640 0.012 0.000 0.255 579 D C 0.936 177.345 176.300 0.180 0.000 1.226 579 D CA -0.279 53.908 54.000 0.312 0.000 1.015 579 D CB 0.751 41.677 40.800 0.210 0.000 1.091 579 D HN 0.374 nan 8.370 nan 0.000 0.527 580 E N -0.500 119.768 120.200 0.113 0.000 2.130 580 E HA -0.174 4.184 4.350 0.012 0.000 0.196 580 E C 1.194 177.831 176.600 0.063 0.000 0.998 580 E CA 0.974 57.416 56.400 0.070 0.000 0.806 580 E CB -0.307 29.417 29.700 0.040 0.000 0.738 580 E HN 0.440 nan 8.360 nan 0.000 0.459 581 N N -0.608 118.136 118.700 0.073 0.000 2.467 581 N HA -0.014 4.733 4.740 0.012 0.000 0.184 581 N C 1.050 176.605 175.510 0.074 0.000 1.106 581 N CA 0.976 54.063 53.050 0.061 0.000 0.892 581 N CB 0.574 39.094 38.487 0.055 0.000 0.969 581 N HN 0.260 nan 8.380 nan 0.000 0.454 582 G N 0.677 109.543 108.800 0.111 0.000 2.141 582 G HA2 -0.239 3.728 3.960 0.012 0.000 0.242 582 G HA3 -0.239 3.728 3.960 0.012 0.000 0.242 582 G C -0.280 174.760 174.900 0.233 0.000 0.982 582 G CA -0.404 44.775 45.100 0.132 0.000 0.662 582 G HN 0.270 nan 8.290 nan 0.000 0.527 583 N N 1.820 120.654 118.700 0.222 0.000 2.499 583 N HA 0.446 5.193 4.740 0.012 0.000 0.281 583 N C -2.389 173.235 175.510 0.191 0.000 1.098 583 N CA -1.141 52.030 53.050 0.201 0.000 0.979 583 N CB 1.761 40.334 38.487 0.144 0.000 1.121 583 N HN 0.182 nan 8.380 nan 0.000 0.466 584 P HA 0.224 nan 4.420 nan 0.000 0.274 584 P C -0.509 176.710 177.300 -0.134 0.000 1.231 584 P CA -0.198 62.706 63.100 -0.327 0.000 0.790 584 P CB 0.625 32.158 31.700 -0.278 0.000 0.951 585 W N -1.001 120.035 121.300 -0.440 0.000 3.296 585 W HA 0.355 5.022 4.660 0.012 0.000 0.314 585 W C -1.504 174.815 176.519 -0.334 0.000 1.238 585 W CA -0.959 56.132 57.345 -0.424 0.000 1.193 585 W CB 0.286 29.218 29.460 -0.880 0.000 1.383 585 W HN 0.108 nan 8.180 nan 0.000 0.545 586 S N 1.784 117.560 115.700 0.127 0.000 2.481 586 S HA 0.549 5.027 4.470 0.012 0.000 0.276 586 S C 0.255 175.029 174.600 0.290 0.000 1.247 586 S CA -0.126 58.150 58.200 0.127 0.000 1.053 586 S CB 0.773 64.092 63.200 0.198 0.000 0.925 586 S HN 0.599 nan 8.310 nan 0.000 0.491 587 A N 3.051 125.909 122.820 0.063 0.000 2.330 587 A HA 0.894 5.222 4.320 0.012 0.000 0.329 587 A C -0.646 177.195 177.584 0.428 0.000 1.135 587 A CA -0.764 51.359 52.037 0.143 0.000 0.817 587 A CB 0.703 19.471 19.000 -0.386 0.000 1.269 587 A HN 0.834 nan 8.150 nan 0.000 0.469 588 Y N -0.927 119.690 120.300 0.528 0.000 3.048 588 Y HA 0.774 5.332 4.550 0.013 0.000 0.305 588 Y C 0.683 176.945 175.900 0.604 0.000 1.538 588 Y CA -1.339 57.072 58.100 0.520 0.000 1.082 588 Y CB -0.114 38.483 38.460 0.228 0.000 1.388 588 Y HN 0.881 nan 8.280 nan 0.000 0.557 589 G N -0.294 108.902 108.800 0.659 0.000 2.353 589 G HA2 0.375 4.342 3.960 0.012 0.000 0.239 589 G HA3 0.375 4.342 3.960 0.012 0.000 0.239 589 G C 0.946 176.158 174.900 0.520 0.000 1.295 589 G CA 0.334 45.741 45.100 0.512 0.000 0.884 589 G HN 1.951 nan 8.290 nan 0.000 0.537 590 G N 2.100 111.181 108.800 0.468 0.000 2.253 590 G HA2 -0.283 3.684 3.960 0.012 0.000 0.251 590 G HA3 -0.283 3.684 3.960 0.012 0.000 0.251 590 G C 0.902 175.991 174.900 0.315 0.000 0.998 590 G CA 0.646 45.957 45.100 0.353 0.000 0.621 590 G HN 0.645 nan 8.290 nan 0.000 0.524 591 D N -0.277 120.317 120.400 0.324 0.000 2.392 591 D HA 0.136 4.783 4.640 0.012 0.000 0.228 591 D C 1.117 177.287 176.300 -0.216 0.000 1.003 591 D CA 0.501 54.528 54.000 0.045 0.000 0.917 591 D CB -0.195 40.563 40.800 -0.070 0.000 0.890 591 D HN 0.485 nan 8.370 nan 0.000 0.532 592 F N -1.017 119.057 119.950 0.207 0.000 2.698 592 F HA 0.302 4.836 4.527 0.012 0.000 0.304 592 F C 1.749 177.633 175.800 0.140 0.000 1.108 592 F CA -0.225 57.854 58.000 0.132 0.000 1.263 592 F CB 0.934 40.004 39.000 0.116 0.000 1.013 592 F HN -0.047 nan 8.300 nan 0.000 0.532 593 G N 0.224 109.175 108.800 0.252 0.000 2.176 593 G HA2 -0.277 3.690 3.960 0.012 0.000 0.253 593 G HA3 -0.277 3.690 3.960 0.012 0.000 0.253 593 G C -0.135 174.896 174.900 0.219 0.000 0.979 593 G CA 0.122 45.342 45.100 0.200 0.000 0.641 593 G HN 0.404 nan 8.290 nan 0.000 0.530 594 D N 0.654 121.233 120.400 0.298 0.000 2.417 594 D HA 0.478 5.126 4.640 0.012 0.000 0.250 594 D C 0.117 176.534 176.300 0.195 0.000 1.166 594 D CA 1.076 55.240 54.000 0.273 0.000 0.881 594 D CB 1.526 42.551 40.800 0.376 0.000 1.164 594 D HN 0.415 nan 8.370 nan 0.000 0.467 595 T N 1.185 115.822 114.554 0.138 0.000 3.047 595 T HA 0.414 4.771 4.350 0.012 0.000 0.340 595 T C -2.787 171.945 174.700 0.053 0.000 1.421 595 T CA -1.146 61.006 62.100 0.088 0.000 1.090 595 T CB 1.143 70.064 68.868 0.089 0.000 1.292 595 T HN 0.209 nan 8.240 nan 0.000 0.480 596 P HA 0.507 nan 4.420 nan 0.000 0.272 596 P C -0.937 176.347 177.300 -0.027 0.000 1.240 596 P CA -0.301 62.793 63.100 -0.010 0.000 0.791 596 P CB 0.351 32.019 31.700 -0.053 0.000 0.978 597 N N -1.878 116.800 118.700 -0.036 0.000 2.732 597 N HA 0.290 5.037 4.740 0.012 0.000 0.259 597 N C -1.192 174.251 175.510 -0.112 0.000 1.402 597 N CA -0.769 52.232 53.050 -0.082 0.000 0.829 597 N CB 0.824 39.352 38.487 0.069 0.000 1.495 597 N HN 0.073 nan 8.380 nan 0.000 0.511 598 D N -0.203 120.067 120.400 -0.215 0.000 2.643 598 D HA 0.136 4.784 4.640 0.012 0.000 0.244 598 D C 0.451 176.947 176.300 0.327 0.000 1.257 598 D CA -0.126 53.841 54.000 -0.055 0.000 0.831 598 D CB 0.168 40.791 40.800 -0.295 0.000 1.043 598 D HN 0.720 nan 8.370 nan 0.000 0.488 599 R N 0.868 121.557 120.500 0.316 0.000 3.682 599 R HA -0.327 4.020 4.340 0.012 0.000 0.519 599 R C 1.121 177.496 176.300 0.125 0.000 0.241 599 R CA 1.574 57.875 56.100 0.335 0.000 1.619 599 R CB -1.556 28.863 30.300 0.197 0.000 0.923 599 R HN 0.150 nan 8.270 nan 0.000 0.598 600 Q N 1.457 121.002 119.800 -0.425 0.000 2.482 600 Q HA 0.004 4.351 4.340 0.012 0.000 0.209 600 Q C 1.583 177.302 176.000 -0.467 0.000 0.961 600 Q CA 1.227 56.579 55.803 -0.752 0.000 0.945 600 Q CB 0.035 28.084 28.738 -1.148 0.000 1.012 600 Q HN 0.618 nan 8.270 nan 0.000 0.515 601 F N 1.515 121.393 119.950 -0.119 0.000 2.494 601 F HA -0.127 4.408 4.527 0.012 0.000 0.298 601 F C 2.196 177.923 175.800 -0.122 0.000 1.106 601 F CA 1.050 59.047 58.000 -0.005 0.000 1.452 601 F CB -0.073 38.996 39.000 0.116 0.000 1.085 601 F HN 0.421 nan 8.300 nan 0.000 0.569 602 C N -1.304 117.693 119.300 -0.506 0.000 2.576 602 C HA 0.230 4.698 4.460 0.012 0.000 0.267 602 C C 0.982 175.770 174.990 -0.337 0.000 1.364 602 C CA -0.515 58.033 59.018 -0.783 0.000 1.723 602 C CB -1.647 25.099 27.740 -1.657 0.000 1.778 602 C HN 0.176 nan 8.230 nan 0.000 0.572 603 M N 2.633 122.090 119.600 -0.239 0.000 2.036 603 M HA 0.283 4.770 4.480 0.012 0.000 0.337 603 M C -0.478 175.714 176.300 -0.179 0.000 1.012 603 M CA 0.342 55.541 55.300 -0.168 0.000 0.962 603 M CB 0.138 32.681 32.600 -0.096 0.000 1.423 603 M HN 0.345 nan 8.290 nan 0.000 0.405 604 N N 1.050 119.633 118.700 -0.195 0.000 2.305 604 N HA 0.205 4.952 4.740 0.012 0.000 0.248 604 N C 0.263 175.524 175.510 -0.416 0.000 1.290 604 N CA -0.521 52.368 53.050 -0.267 0.000 0.873 604 N CB 1.234 39.665 38.487 -0.094 0.000 1.261 604 N HN 0.670 nan 8.380 nan 0.000 0.504 605 G N -0.029 108.466 108.800 -0.508 0.000 2.476 605 G HA2 0.337 4.304 3.960 0.012 0.000 0.286 605 G HA3 0.337 4.304 3.960 0.012 0.000 0.286 605 G C 0.767 175.124 174.900 -0.906 0.000 1.177 605 G CA -0.550 44.162 45.100 -0.647 0.000 0.870 605 G HN 0.123 nan 8.290 nan 0.000 0.528 606 L N 0.079 120.857 121.223 -0.742 0.000 2.291 606 L HA 0.084 4.432 4.340 0.012 0.000 0.214 606 L C 0.964 177.378 176.870 -0.760 0.000 1.120 606 L CA 0.487 54.922 54.840 -0.675 0.000 0.799 606 L CB -0.436 41.358 42.059 -0.440 0.000 0.925 606 L HN 0.402 nan 8.230 nan 0.000 0.446 607 V N -5.096 114.287 119.914 -0.885 0.000 2.914 607 V HA 0.462 4.589 4.120 0.012 0.000 0.314 607 V C -0.218 175.633 176.094 -0.406 0.000 1.084 607 V CA -1.302 60.641 62.300 -0.596 0.000 0.963 607 V CB 1.602 33.011 31.823 -0.690 0.000 1.025 607 V HN -0.140 nan 8.190 nan 0.000 0.432 608 F N 1.636 121.581 119.950 -0.009 0.000 2.485 608 F HA 0.523 5.058 4.527 0.013 0.000 0.327 608 F C 1.959 177.711 175.800 -0.080 0.000 1.203 608 F CA 0.639 58.649 58.000 0.017 0.000 1.295 608 F CB 0.852 39.837 39.000 -0.026 0.000 1.191 608 F HN 0.782 nan 8.300 nan 0.000 0.588 609 A N 0.718 123.643 122.820 0.176 0.000 2.024 609 A HA -0.209 4.118 4.320 0.012 0.000 0.220 609 A C 1.545 179.120 177.584 -0.015 0.000 1.164 609 A CA 1.827 53.915 52.037 0.084 0.000 0.643 609 A CB -0.920 18.162 19.000 0.136 0.000 0.806 609 A HN 0.776 nan 8.150 nan 0.000 0.451 610 D N -2.863 117.540 120.400 0.004 0.000 2.336 610 D HA 0.178 4.825 4.640 0.012 0.000 0.228 610 D C 0.584 176.876 176.300 -0.013 0.000 1.120 610 D CA -0.163 53.806 54.000 -0.051 0.000 0.839 610 D CB -0.085 40.682 40.800 -0.055 0.000 0.932 610 D HN 0.178 nan 8.370 nan 0.000 0.509 611 R N -1.814 118.686 120.500 -0.000 0.000 3.892 611 R HA -0.124 4.223 4.340 0.012 0.000 0.441 611 R C -0.242 176.070 176.300 0.019 0.000 1.052 611 R CA 1.089 57.182 56.100 -0.012 0.000 1.190 611 R CB -3.222 27.103 30.300 0.042 0.000 1.808 611 R HN 0.251 nan 8.270 nan 0.000 0.538 612 T N 2.436 117.041 114.554 0.085 0.000 2.901 612 T HA 0.343 4.700 4.350 0.012 0.000 0.301 612 T C -2.299 172.510 174.700 0.181 0.000 1.012 612 T CA -0.771 61.401 62.100 0.120 0.000 1.135 612 T CB 1.007 69.939 68.868 0.108 0.000 0.936 612 T HN -0.103 nan 8.240 nan 0.000 0.539 613 P HA 0.166 nan 4.420 nan 0.000 0.275 613 P C 0.014 177.341 177.300 0.044 0.000 1.228 613 P CA -0.228 62.881 63.100 0.015 0.000 0.786 613 P CB 0.438 32.142 31.700 0.007 0.000 0.927 614 H N 2.891 121.780 119.070 -0.301 0.000 2.508 614 H HA 0.108 4.671 4.556 0.013 0.000 0.358 614 H C -1.355 173.865 175.328 -0.180 0.000 1.212 614 H CA -1.738 54.094 56.048 -0.360 0.000 1.356 614 H CB 0.521 30.018 29.762 -0.441 0.000 1.525 614 H HN 0.305 nan 8.280 nan 0.000 0.578 615 P HA -0.101 nan 4.420 nan 0.000 0.220 615 P C 1.066 178.364 177.300 -0.003 0.000 1.148 615 P CA 1.191 64.275 63.100 -0.027 0.000 0.803 615 P CB 0.088 31.776 31.700 -0.021 0.000 0.782 616 A N -0.569 122.252 122.820 0.003 0.000 2.070 616 A HA -0.162 4.165 4.320 0.012 0.000 0.220 616 A C 2.027 179.558 177.584 -0.088 0.000 1.159 616 A CA 1.030 53.031 52.037 -0.060 0.000 0.656 616 A CB -1.530 17.399 19.000 -0.117 0.000 0.800 616 A HN 0.149 nan 8.150 nan 0.000 0.453 617 L N -0.472 120.718 121.223 -0.055 0.000 2.042 617 L HA -0.142 4.205 4.340 0.012 0.000 0.210 617 L C 2.542 179.454 176.870 0.069 0.000 1.076 617 L CA 2.766 57.609 54.840 0.006 0.000 0.749 617 L CB -1.036 41.029 42.059 0.010 0.000 0.893 617 L HN 0.380 nan 8.230 nan 0.000 0.432 618 T N -1.751 112.851 114.554 0.079 0.000 2.833 618 T HA -0.201 4.156 4.350 0.012 0.000 0.269 618 T C 1.807 176.620 174.700 0.187 0.000 1.054 618 T CA 1.445 63.651 62.100 0.177 0.000 1.135 618 T CB -0.151 68.798 68.868 0.135 0.000 0.869 618 T HN 0.473 nan 8.240 nan 0.000 0.466 619 E N 0.779 121.027 120.200 0.081 0.000 2.072 619 E HA 0.069 4.427 4.350 0.012 0.000 0.191 619 E C 2.184 178.792 176.600 0.013 0.000 0.985 619 E CA 1.373 57.822 56.400 0.081 0.000 0.801 619 E CB -0.636 29.079 29.700 0.026 0.000 0.750 619 E HN 0.543 nan 8.360 nan 0.000 0.452 620 A N 0.889 123.607 122.820 -0.170 0.000 1.898 620 A HA -0.200 4.128 4.320 0.012 0.000 0.216 620 A C 2.151 179.623 177.584 -0.186 0.000 1.181 620 A CA 1.809 53.694 52.037 -0.254 0.000 0.620 620 A CB -0.586 18.256 19.000 -0.264 0.000 0.819 620 A HN 0.250 nan 8.150 nan 0.000 0.442 621 K N -1.144 119.223 120.400 -0.056 0.000 2.044 621 K HA -0.297 4.030 4.320 0.012 0.000 0.210 621 K C 2.066 178.564 176.600 -0.170 0.000 1.049 621 K CA 2.096 58.365 56.287 -0.031 0.000 0.927 621 K CB -0.343 32.294 32.500 0.228 0.000 0.713 621 K HN 0.658 nan 8.250 nan 0.000 0.443 622 H N 0.240 119.133 119.070 -0.295 0.000 2.357 622 H HA -0.003 4.560 4.556 0.013 0.000 0.301 622 H C 1.957 177.013 175.328 -0.454 0.000 1.082 622 H CA 1.679 57.357 56.048 -0.617 0.000 1.342 622 H CB 0.108 29.533 29.762 -0.561 0.000 1.389 622 H HN 0.230 nan 8.280 nan 0.000 0.511 623 Q N 0.269 119.833 119.800 -0.393 0.000 2.224 623 Q HA -0.093 4.255 4.340 0.012 0.000 0.203 623 Q C 1.490 176.962 176.000 -0.880 0.000 0.970 623 Q CA 1.142 56.633 55.803 -0.519 0.000 0.865 623 Q CB 0.035 28.628 28.738 -0.243 0.000 0.922 623 Q HN 0.711 nan 8.270 nan 0.000 0.445 624 Q N 0.264 119.499 119.800 -0.940 0.000 2.322 624 Q HA 0.070 4.418 4.340 0.012 0.000 0.203 624 Q C -0.074 175.377 176.000 -0.915 0.000 0.923 624 Q CA -0.205 54.888 55.803 -1.183 0.000 0.949 624 Q CB 0.284 28.378 28.738 -1.074 0.000 1.039 624 Q HN 0.378 nan 8.270 nan 0.000 0.496 625 Q N -0.521 118.885 119.800 -0.658 0.000 2.428 625 Q HA -0.039 4.309 4.340 0.012 0.000 0.276 625 Q C -0.105 175.526 176.000 -0.614 0.000 1.059 625 Q CA 0.449 55.995 55.803 -0.430 0.000 0.923 625 Q CB 0.452 29.021 28.738 -0.282 0.000 1.283 625 Q HN 0.309 nan 8.270 nan 0.000 0.447 626 F N 0.127 119.855 119.950 -0.371 0.000 2.695 626 F HA 0.238 4.772 4.527 0.012 0.000 0.303 626 F C -0.249 174.954 175.800 -0.995 0.000 1.091 626 F CA -0.025 57.512 58.000 -0.772 0.000 1.300 626 F CB 0.622 38.899 39.000 -1.204 0.000 1.071 626 F HN 0.301 nan 8.300 nan 0.000 0.578 627 F N 0.416 120.274 119.950 -0.155 0.000 2.529 627 F HA 0.455 4.990 4.527 0.013 0.000 0.320 627 F C -0.185 175.245 175.800 -0.617 0.000 1.118 627 F CA -1.088 56.710 58.000 -0.336 0.000 0.915 627 F CB 1.339 40.147 39.000 -0.320 0.000 1.161 627 F HN -0.319 nan 8.300 nan 0.000 0.445 628 Q N 3.142 122.674 119.800 -0.447 0.000 2.266 628 Q HA 0.592 4.939 4.340 0.012 0.000 0.261 628 Q C -1.326 174.413 176.000 -0.435 0.000 0.985 628 Q CA -0.626 54.967 55.803 -0.351 0.000 0.873 628 Q CB 2.854 31.510 28.738 -0.136 0.000 1.306 628 Q HN 0.559 nan 8.270 nan 0.000 0.447 629 F N 0.077 120.154 119.950 0.213 0.000 2.576 629 F HA 0.588 5.123 4.527 0.013 0.000 0.313 629 F C 0.333 176.370 175.800 0.394 0.000 1.078 629 F CA -0.878 57.323 58.000 0.335 0.000 0.921 629 F CB 2.116 41.442 39.000 0.542 0.000 1.232 629 F HN 0.135 nan 8.300 nan 0.000 0.459 630 R N 1.524 122.314 120.500 0.483 0.000 2.744 630 R HA 0.723 5.071 4.340 0.012 0.000 0.279 630 R C -1.988 174.353 176.300 0.069 0.000 0.977 630 R CA -1.247 55.051 56.100 0.330 0.000 0.906 630 R CB 2.947 33.355 30.300 0.181 0.000 1.197 630 R HN 0.551 nan 8.270 nan 0.000 0.463 631 L N 0.553 121.691 121.223 -0.142 0.000 2.362 631 L HA 0.524 4.872 4.340 0.012 0.000 0.275 631 L C -1.027 175.688 176.870 -0.258 0.000 0.998 631 L CA 0.046 54.587 54.840 -0.498 0.000 0.820 631 L CB 2.187 43.537 42.059 -1.181 0.000 1.270 631 L HN 0.528 nan 8.230 nan 0.000 0.415 632 S N 3.735 119.310 115.700 -0.209 0.000 2.746 632 S HA 0.713 5.190 4.470 0.012 0.000 0.273 632 S C 0.209 174.725 174.600 -0.139 0.000 1.172 632 S CA 0.291 58.412 58.200 -0.132 0.000 1.116 632 S CB 0.129 63.285 63.200 -0.073 0.000 1.057 632 S HN 1.542 nan 8.310 nan 0.000 0.483 633 G N 4.294 113.011 108.800 -0.138 0.000 2.536 633 G HA2 -0.275 3.692 3.960 0.012 0.000 0.277 633 G HA3 -0.275 3.692 3.960 0.012 0.000 0.277 633 G C 0.132 174.929 174.900 -0.172 0.000 1.155 633 G CA 0.606 45.629 45.100 -0.129 0.000 0.960 633 G HN 1.077 nan 8.290 nan 0.000 0.544 634 Q N 0.781 120.479 119.800 -0.169 0.000 2.157 634 Q HA 0.415 4.763 4.340 0.012 0.000 0.229 634 Q C 0.268 176.132 176.000 -0.227 0.000 0.827 634 Q CA 0.698 56.372 55.803 -0.215 0.000 1.055 634 Q CB -0.546 28.058 28.738 -0.222 0.000 1.157 634 Q HN 0.557 nan 8.270 nan 0.000 0.482 635 T N 2.086 116.523 114.554 -0.195 0.000 2.743 635 T HA 0.589 4.947 4.350 0.012 0.000 0.292 635 T C -0.119 174.469 174.700 -0.186 0.000 0.972 635 T CA -0.304 61.698 62.100 -0.163 0.000 0.967 635 T CB 0.553 69.356 68.868 -0.108 0.000 0.926 635 T HN 0.232 nan 8.240 nan 0.000 0.459 636 I N 3.064 123.533 120.570 -0.168 0.000 2.331 636 I HA 0.299 4.477 4.170 0.012 0.000 0.292 636 I C 0.588 176.709 176.117 0.007 0.000 0.998 636 I CA -0.498 60.727 61.300 -0.124 0.000 1.267 636 I CB 1.188 39.132 38.000 -0.094 0.000 1.386 636 I HN 0.536 nan 8.210 nan 0.000 0.476 637 E N 6.507 126.747 120.200 0.066 0.000 2.113 637 E HA 0.423 4.781 4.350 0.012 0.000 0.273 637 E C -1.506 175.197 176.600 0.171 0.000 0.924 637 E CA -0.619 55.837 56.400 0.093 0.000 0.764 637 E CB 1.544 31.285 29.700 0.069 0.000 1.104 637 E HN 0.345 nan 8.360 nan 0.000 0.406 638 V N 4.234 124.235 119.914 0.145 0.000 2.394 638 V HA 0.302 4.429 4.120 0.012 0.000 0.282 638 V C 0.015 176.136 176.094 0.045 0.000 1.031 638 V CA -0.450 61.911 62.300 0.101 0.000 0.881 638 V CB 1.677 33.587 31.823 0.146 0.000 0.982 638 V HN 0.712 nan 8.190 nan 0.000 0.451 639 T N 3.422 117.961 114.554 -0.025 0.000 2.807 639 T HA 0.337 4.694 4.350 0.012 0.000 0.279 639 T C -0.046 174.649 174.700 -0.009 0.000 0.993 639 T CA -0.246 61.852 62.100 -0.003 0.000 0.970 639 T CB 1.563 70.410 68.868 -0.034 0.000 0.950 639 T HN 0.677 nan 8.240 nan 0.000 0.441 640 S N 1.685 117.390 115.700 0.010 0.000 2.537 640 S HA 0.217 4.695 4.470 0.012 0.000 0.275 640 S C 0.786 175.258 174.600 -0.213 0.000 1.272 640 S CA -0.524 57.598 58.200 -0.130 0.000 1.050 640 S CB 0.596 63.803 63.200 0.012 0.000 0.961 640 S HN 0.730 nan 8.310 nan 0.000 0.496 641 E N 2.751 122.718 120.200 -0.388 0.000 2.481 641 E HA 0.101 4.458 4.350 0.012 0.000 0.198 641 E C -0.733 175.691 176.600 -0.292 0.000 1.027 641 E CA -0.110 56.104 56.400 -0.310 0.000 0.900 641 E CB 0.306 29.802 29.700 -0.341 0.000 0.993 641 E HN 0.693 nan 8.360 nan 0.000 0.482 642 Y N 0.495 120.673 120.300 -0.202 0.000 2.397 642 Y HA -0.009 4.549 4.550 0.012 0.000 0.335 642 Y C 1.445 177.194 175.900 -0.252 0.000 1.213 642 Y CA 0.043 58.031 58.100 -0.187 0.000 1.391 642 Y CB 0.779 39.116 38.460 -0.205 0.000 1.293 642 Y HN -0.029 nan 8.280 nan 0.000 0.557 643 L N 1.316 122.392 121.223 -0.245 0.000 2.408 643 L HA 0.046 4.393 4.340 0.012 0.000 0.215 643 L C 0.638 177.106 176.870 -0.671 0.000 1.081 643 L CA 0.747 55.196 54.840 -0.651 0.000 0.840 643 L CB 0.042 41.285 42.059 -1.361 0.000 1.002 643 L HN 0.671 nan 8.230 nan 0.000 0.468 644 F N -0.639 119.336 119.950 0.042 0.000 2.819 644 F HA 0.206 4.740 4.527 0.011 0.000 0.325 644 F C 1.185 176.977 175.800 -0.014 0.000 1.041 644 F CA -0.769 57.227 58.000 -0.007 0.000 1.184 644 F CB 0.463 39.436 39.000 -0.045 0.000 1.019 644 F HN -0.120 nan 8.300 nan 0.000 0.590 645 R N -0.067 120.485 120.500 0.087 0.000 2.668 645 R HA 0.505 4.853 4.340 0.012 0.000 0.279 645 R C -1.071 175.240 176.300 0.019 0.000 0.976 645 R CA -0.671 55.427 56.100 -0.004 0.000 0.978 645 R CB 1.063 31.255 30.300 -0.180 0.000 1.133 645 R HN 0.042 nan 8.270 nan 0.000 0.484 646 H N 0.308 119.364 119.070 -0.024 0.000 2.509 646 H HA 0.170 4.733 4.556 0.012 0.000 0.359 646 H C -0.181 175.163 175.328 0.027 0.000 1.253 646 H CA -0.056 56.009 56.048 0.029 0.000 1.373 646 H CB 1.323 31.105 29.762 0.034 0.000 1.555 646 H HN 0.738 nan 8.280 nan 0.000 0.586 647 S N 1.534 117.145 115.700 -0.148 0.000 4.120 647 S HA 0.011 4.489 4.470 0.012 0.000 0.196 647 S C -0.089 174.577 174.600 0.110 0.000 1.447 647 S CA -0.302 57.933 58.200 0.059 0.000 0.939 647 S CB -0.739 62.512 63.200 0.085 0.000 1.496 647 S HN 0.694 nan 8.310 nan 0.000 0.460 648 D N 0.542 121.023 120.400 0.134 0.000 2.319 648 D HA 0.041 4.688 4.640 0.012 0.000 0.230 648 D C 0.313 176.662 176.300 0.081 0.000 1.094 648 D CA -0.167 53.916 54.000 0.138 0.000 0.856 648 D CB -0.284 40.588 40.800 0.122 0.000 0.915 648 D HN 0.472 nan 8.370 nan 0.000 0.517 649 N N 0.111 118.856 118.700 0.076 0.000 2.639 649 N HA 0.166 4.913 4.740 0.012 0.000 0.265 649 N C -1.611 173.948 175.510 0.081 0.000 1.689 649 N CA -0.184 52.903 53.050 0.063 0.000 0.813 649 N CB 0.270 38.784 38.487 0.045 0.000 1.353 649 N HN -0.031 nan 8.380 nan 0.000 0.510 650 E N -0.183 120.057 120.200 0.067 0.000 2.363 650 E HA 0.527 4.885 4.350 0.012 0.000 0.281 650 E C -1.512 175.107 176.600 0.031 0.000 0.953 650 E CA -0.696 55.733 56.400 0.049 0.000 0.778 650 E CB 1.912 31.605 29.700 -0.011 0.000 1.220 650 E HN 0.279 nan 8.360 nan 0.000 0.431 651 L N -0.274 120.976 121.223 0.045 0.000 2.376 651 L HA 0.763 5.111 4.340 0.012 0.000 0.258 651 L C -1.508 175.410 176.870 0.080 0.000 1.013 651 L CA -1.107 53.766 54.840 0.055 0.000 0.822 651 L CB 1.031 43.127 42.059 0.063 0.000 1.388 651 L HN 0.469 nan 8.230 nan 0.000 0.413 652 L N 1.923 123.204 121.223 0.097 0.000 2.272 652 L HA 0.533 4.880 4.340 0.012 0.000 0.289 652 L C -0.723 176.255 176.870 0.181 0.000 1.032 652 L CA 0.114 55.049 54.840 0.159 0.000 0.810 652 L CB 0.560 42.727 42.059 0.181 0.000 1.205 652 L HN 0.675 nan 8.230 nan 0.000 0.422 653 H N 5.733 124.881 119.070 0.130 0.000 2.459 653 H HA 0.387 4.950 4.556 0.012 0.000 0.332 653 H C -1.448 173.961 175.328 0.136 0.000 1.094 653 H CA -0.375 55.708 56.048 0.058 0.000 1.224 653 H CB 1.080 30.840 29.762 -0.003 0.000 1.449 653 H HN 0.728 nan 8.280 nan 0.000 0.484 654 W N 5.257 126.635 121.300 0.130 0.000 2.844 654 W HA 0.541 5.208 4.660 0.012 0.000 0.340 654 W C -1.658 174.957 176.519 0.159 0.000 1.093 654 W CA -1.439 55.987 57.345 0.136 0.000 1.212 654 W CB 1.185 30.688 29.460 0.072 0.000 1.422 654 W HN 0.579 nan 8.180 nan 0.000 0.515 655 M N 3.083 122.905 119.600 0.369 0.000 2.365 655 M HA 0.619 5.106 4.480 0.012 0.000 0.287 655 M C -2.576 173.924 176.300 0.334 0.000 1.154 655 M CA -0.432 54.963 55.300 0.158 0.000 0.941 655 M CB 2.209 34.830 32.600 0.036 0.000 1.704 655 M HN 0.135 nan 8.290 nan 0.000 0.479 656 V N 3.331 123.430 119.914 0.309 0.000 2.555 656 V HA 1.026 5.153 4.120 0.012 0.000 0.302 656 V C -0.328 175.877 176.094 0.186 0.000 1.038 656 V CA -0.165 62.310 62.300 0.292 0.000 0.887 656 V CB 1.409 33.423 31.823 0.317 0.000 0.991 656 V HN 1.085 nan 8.190 nan 0.000 0.434 657 A N 4.135 127.068 122.820 0.190 0.000 2.539 657 A HA 0.877 5.204 4.320 0.012 0.000 0.296 657 A C -1.524 176.167 177.584 0.177 0.000 1.073 657 A CA -0.616 51.499 52.037 0.130 0.000 0.700 657 A CB 1.746 20.785 19.000 0.065 0.000 1.296 657 A HN 0.860 nan 8.150 nan 0.000 0.405 658 L N 1.508 122.808 121.223 0.129 0.000 2.262 658 L HA 0.527 4.874 4.340 0.012 0.000 0.288 658 L C -0.607 176.354 176.870 0.152 0.000 1.035 658 L CA 0.270 55.198 54.840 0.146 0.000 0.820 658 L CB 0.222 42.338 42.059 0.095 0.000 1.204 658 L HN 0.740 nan 8.230 nan 0.000 0.424 659 D N 4.817 125.373 120.400 0.260 0.000 2.697 659 D HA -0.206 4.442 4.640 0.012 0.000 0.235 659 D C 1.187 177.542 176.300 0.092 0.000 1.167 659 D CA 1.489 55.652 54.000 0.271 0.000 0.656 659 D CB -1.051 39.868 40.800 0.199 0.000 1.025 659 D HN 1.170 nan 8.370 nan 0.000 0.419 660 G N -0.661 108.154 108.800 0.026 0.000 2.234 660 G HA2 -0.381 3.587 3.960 0.012 0.000 0.260 660 G HA3 -0.381 3.587 3.960 0.012 0.000 0.260 660 G C 0.279 175.108 174.900 -0.119 0.000 0.987 660 G CA 0.589 45.591 45.100 -0.163 0.000 0.625 660 G HN 0.502 nan 8.290 nan 0.000 0.532 661 K N 2.035 122.413 120.400 -0.037 0.000 2.262 661 K HA 0.472 4.800 4.320 0.012 0.000 0.282 661 K C -2.577 174.014 176.600 -0.015 0.000 1.066 661 K CA -1.906 54.360 56.287 -0.035 0.000 0.901 661 K CB 1.531 34.025 32.500 -0.009 0.000 1.089 661 K HN 0.061 nan 8.250 nan 0.000 0.476 662 P HA -0.040 nan 4.420 nan 0.000 0.264 662 P C -0.023 177.279 177.300 0.003 0.000 1.193 662 P CA 0.166 63.252 63.100 -0.024 0.000 0.763 662 P CB 0.696 32.362 31.700 -0.056 0.000 0.810 663 L N 1.387 122.630 121.223 0.033 0.000 2.600 663 L HA 0.462 4.809 4.340 0.012 0.000 0.213 663 L C 0.818 177.722 176.870 0.057 0.000 1.045 663 L CA 0.494 55.365 54.840 0.051 0.000 0.863 663 L CB 0.287 42.396 42.059 0.083 0.000 1.189 663 L HN 0.412 nan 8.230 nan 0.000 0.484 664 A N -0.513 122.348 122.820 0.068 0.000 2.601 664 A HA 0.678 5.006 4.320 0.012 0.000 0.291 664 A C -1.090 176.390 177.584 -0.173 0.000 1.075 664 A CA 0.007 52.072 52.037 0.047 0.000 0.671 664 A CB 1.685 20.822 19.000 0.228 0.000 1.277 664 A HN 0.112 nan 8.150 nan 0.000 0.417 665 S N -1.039 114.322 115.700 -0.566 0.000 2.595 665 S HA 0.928 5.406 4.470 0.012 0.000 0.270 665 S C -0.275 173.442 174.600 -1.472 0.000 1.145 665 S CA -0.178 57.265 58.200 -1.261 0.000 0.825 665 S CB 0.925 63.808 63.200 -0.527 0.000 1.107 665 S HN 2.594 nan 8.310 nan 0.000 0.461 666 G N -0.121 107.503 108.800 -1.961 0.000 2.548 666 G HA2 0.662 4.630 3.960 0.012 0.000 0.301 666 G HA3 0.662 4.630 3.960 0.012 0.000 0.301 666 G C -2.405 171.924 174.900 -0.952 0.000 1.349 666 G CA -0.859 43.640 45.100 -1.002 0.000 0.792 666 G HN 0.831 nan 8.290 nan 0.000 0.481 667 E N -1.364 118.601 120.200 -0.391 0.000 2.340 667 E HA 0.666 5.023 4.350 0.012 0.000 0.273 667 E C -1.529 175.081 176.600 0.016 0.000 0.891 667 E CA -0.952 55.276 56.400 -0.288 0.000 0.757 667 E CB 3.289 32.786 29.700 -0.339 0.000 1.231 667 E HN 0.345 nan 8.360 nan 0.000 0.439 668 V N 2.048 122.007 119.914 0.075 0.000 2.808 668 V HA 0.401 4.529 4.120 0.012 0.000 0.308 668 V C -2.442 173.693 176.094 0.069 0.000 1.099 668 V CA -1.962 60.392 62.300 0.091 0.000 0.920 668 V CB 2.293 34.193 31.823 0.129 0.000 1.014 668 V HN 0.613 nan 8.190 nan 0.000 0.425 669 P HA 0.242 nan 4.420 nan 0.000 0.271 669 P C -0.955 176.377 177.300 0.054 0.000 1.216 669 P CA -0.062 63.070 63.100 0.054 0.000 0.776 669 P CB 0.925 32.657 31.700 0.054 0.000 0.881 670 L N 2.830 124.077 121.223 0.039 0.000 2.282 670 L HA 0.335 4.683 4.340 0.012 0.000 0.288 670 L C 0.080 176.970 176.870 0.033 0.000 1.033 670 L CA -0.047 54.803 54.840 0.016 0.000 0.807 670 L CB 1.176 43.197 42.059 -0.063 0.000 1.209 670 L HN 0.326 nan 8.230 nan 0.000 0.423 671 D N 2.785 123.212 120.400 0.044 0.000 2.468 671 D HA 0.340 4.988 4.640 0.012 0.000 0.272 671 D C -1.157 175.106 176.300 -0.061 0.000 1.221 671 D CA -0.080 53.977 54.000 0.096 0.000 0.860 671 D CB 1.016 41.951 40.800 0.225 0.000 1.190 671 D HN 0.058 nan 8.370 nan 0.000 0.509 672 V N 0.757 120.477 119.914 -0.322 0.000 2.555 672 V HA 0.885 5.012 4.120 0.012 0.000 0.302 672 V C 0.796 176.617 176.094 -0.455 0.000 1.038 672 V CA -1.294 60.889 62.300 -0.195 0.000 0.887 672 V CB 1.387 33.227 31.823 0.027 0.000 0.991 672 V HN 0.422 nan 8.190 nan 0.000 0.434 673 A N 5.846 128.592 122.820 -0.124 0.000 2.296 673 A HA 0.727 5.054 4.320 0.012 0.000 0.264 673 A C -2.294 175.313 177.584 0.039 0.000 1.097 673 A CA -1.481 50.602 52.037 0.078 0.000 0.811 673 A CB -0.242 18.870 19.000 0.186 0.000 1.072 673 A HN 0.721 nan 8.150 nan 0.000 0.495 674 P HA 0.053 nan 4.420 nan 0.000 0.268 674 P C -0.506 176.797 177.300 0.004 0.000 1.204 674 P CA 0.460 63.583 63.100 0.038 0.000 0.768 674 P CB 0.654 32.365 31.700 0.019 0.000 0.842 675 Q N -1.116 118.667 119.800 -0.028 0.000 2.348 675 Q HA -0.179 4.169 4.340 0.012 0.000 0.221 675 Q C 0.786 176.780 176.000 -0.010 0.000 0.735 675 Q CA 1.797 57.576 55.803 -0.040 0.000 1.351 675 Q CB -2.484 26.227 28.738 -0.044 0.000 1.640 675 Q HN 0.775 nan 8.270 nan 0.000 0.667 676 G N 0.199 109.007 108.800 0.013 0.000 2.557 676 G HA2 0.536 4.504 3.960 0.012 0.000 0.292 676 G HA3 0.536 4.504 3.960 0.012 0.000 0.292 676 G C -0.215 174.704 174.900 0.032 0.000 1.237 676 G CA -0.492 44.625 45.100 0.029 0.000 0.978 676 G HN 0.008 nan 8.290 nan 0.000 0.498 677 K N -0.760 119.663 120.400 0.039 0.000 2.435 677 K HA 0.479 4.807 4.320 0.012 0.000 0.251 677 K C -1.022 175.608 176.600 0.050 0.000 0.954 677 K CA -0.639 55.674 56.287 0.043 0.000 0.820 677 K CB 2.670 35.190 32.500 0.033 0.000 1.292 677 K HN 0.531 nan 8.250 nan 0.000 0.436 678 Q N 2.382 122.216 119.800 0.057 0.000 2.315 678 Q HA 0.438 4.786 4.340 0.012 0.000 0.273 678 Q C -1.711 174.320 176.000 0.052 0.000 1.053 678 Q CA -0.689 55.147 55.803 0.055 0.000 0.817 678 Q CB 1.587 30.361 28.738 0.061 0.000 1.326 678 Q HN 0.515 nan 8.270 nan 0.000 0.423 679 L N 4.349 125.593 121.223 0.035 0.000 2.317 679 L HA 0.620 4.968 4.340 0.012 0.000 0.281 679 L C -0.525 176.349 176.870 0.008 0.000 1.024 679 L CA -0.781 54.070 54.840 0.018 0.000 0.810 679 L CB 1.553 43.614 42.059 0.002 0.000 1.240 679 L HN 0.576 nan 8.230 nan 0.000 0.427 680 I N 2.199 122.762 120.570 -0.011 0.000 2.447 680 I HA 0.257 4.435 4.170 0.012 0.000 0.287 680 I C -0.702 175.359 176.117 -0.093 0.000 1.023 680 I CA -0.494 60.786 61.300 -0.033 0.000 1.083 680 I CB 2.279 40.273 38.000 -0.010 0.000 1.245 680 I HN 0.563 nan 8.210 nan 0.000 0.434 681 E N 6.259 126.400 120.200 -0.098 0.000 2.134 681 E HA 0.467 4.824 4.350 0.012 0.000 0.278 681 E C -0.735 175.748 176.600 -0.196 0.000 0.959 681 E CA -0.381 55.938 56.400 -0.135 0.000 0.783 681 E CB 1.392 31.036 29.700 -0.095 0.000 1.095 681 E HN 0.404 nan 8.360 nan 0.000 0.399 682 L N 4.645 125.688 121.223 -0.300 0.000 2.453 682 L HA 0.351 4.698 4.340 0.012 0.000 0.261 682 L C -1.688 175.000 176.870 -0.302 0.000 1.179 682 L CA -1.938 52.626 54.840 -0.460 0.000 0.813 682 L CB 0.115 41.785 42.059 -0.648 0.000 1.110 682 L HN 0.365 nan 8.230 nan 0.000 0.466 683 P HA -0.064 nan 4.420 nan 0.000 0.273 683 P C -0.602 176.636 177.300 -0.103 0.000 1.258 683 P CA -0.299 62.734 63.100 -0.111 0.000 0.802 683 P CB 0.287 31.996 31.700 0.016 0.000 1.040 684 E N 0.906 121.084 120.200 -0.037 0.000 2.324 684 E HA 0.101 4.459 4.350 0.012 0.000 0.271 684 E C -0.847 175.751 176.600 -0.002 0.000 1.028 684 E CA -0.052 56.332 56.400 -0.027 0.000 0.890 684 E CB -0.000 29.696 29.700 -0.007 0.000 1.004 684 E HN 0.262 nan 8.360 nan 0.000 0.431 685 L N 5.739 126.953 121.223 -0.015 0.000 2.387 685 L HA 0.474 4.822 4.340 0.012 0.000 0.266 685 L C -1.929 174.958 176.870 0.028 0.000 1.059 685 L CA -2.386 52.467 54.840 0.021 0.000 0.801 685 L CB 1.258 43.316 42.059 -0.001 0.000 1.223 685 L HN 0.520 nan 8.230 nan 0.000 0.456 686 P HA 0.177 nan 4.420 nan 0.000 0.274 686 P C -1.570 175.748 177.300 0.030 0.000 1.231 686 P CA -0.503 62.622 63.100 0.042 0.000 0.790 686 P CB 0.867 32.600 31.700 0.056 0.000 0.951 687 Q N 1.665 121.479 119.800 0.023 0.000 2.414 687 Q HA 0.441 4.789 4.340 0.012 0.000 0.256 687 Q C -2.463 173.549 176.000 0.019 0.000 0.974 687 Q CA -1.320 54.492 55.803 0.016 0.000 0.723 687 Q CB 1.173 29.915 28.738 0.006 0.000 1.281 687 Q HN 0.330 nan 8.270 nan 0.000 0.470 688 P HA 0.225 nan 4.420 nan 0.000 0.290 688 P C 0.017 177.329 177.300 0.021 0.000 1.275 688 P CA -0.592 62.522 63.100 0.024 0.000 0.841 688 P CB 1.254 32.973 31.700 0.031 0.000 1.042 689 E N -0.360 119.851 120.200 0.019 0.000 2.371 689 E HA -0.020 4.337 4.350 0.012 0.000 0.194 689 E C 0.553 177.165 176.600 0.020 0.000 1.012 689 E CA 0.299 56.709 56.400 0.017 0.000 0.860 689 E CB -0.243 29.465 29.700 0.014 0.000 0.811 689 E HN 0.329 nan 8.360 nan 0.000 0.502 690 S N 1.199 116.914 115.700 0.024 0.000 2.544 690 S HA 0.227 4.704 4.470 0.012 0.000 0.290 690 S C 0.302 174.922 174.600 0.034 0.000 1.276 690 S CA -0.104 58.113 58.200 0.029 0.000 1.075 690 S CB 0.262 63.480 63.200 0.030 0.000 0.849 690 S HN 0.306 nan 8.310 nan 0.000 0.494 691 A N 4.156 126.998 122.820 0.037 0.000 2.520 691 A HA 0.605 4.932 4.320 0.012 0.000 0.235 691 A C 1.038 178.655 177.584 0.053 0.000 1.065 691 A CA 0.432 52.494 52.037 0.041 0.000 0.764 691 A CB -0.666 18.361 19.000 0.045 0.000 1.002 691 A HN 1.962 nan 8.150 nan 0.000 0.502 692 G N -0.260 108.572 108.800 0.054 0.000 2.369 692 G HA2 0.463 4.430 3.960 0.012 0.000 0.307 692 G HA3 0.463 4.430 3.960 0.012 0.000 0.307 692 G C -1.136 173.796 174.900 0.054 0.000 1.327 692 G CA -0.142 45.004 45.100 0.076 0.000 0.963 692 G HN 1.243 nan 8.290 nan 0.000 0.590 693 Q N -0.337 119.510 119.800 0.079 0.000 2.293 693 Q HA 0.744 5.091 4.340 0.012 0.000 0.261 693 Q C -0.476 175.563 176.000 0.065 0.000 0.960 693 Q CA -0.647 55.152 55.803 -0.006 0.000 0.882 693 Q CB 1.426 30.110 28.738 -0.090 0.000 1.275 693 Q HN 0.601 nan 8.270 nan 0.000 0.445 694 L N 4.149 125.362 121.223 -0.016 0.000 2.326 694 L HA 0.464 4.811 4.340 0.012 0.000 0.278 694 L C -0.838 176.049 176.870 0.028 0.000 1.092 694 L CA -0.314 54.567 54.840 0.069 0.000 0.810 694 L CB 0.695 42.775 42.059 0.036 0.000 1.153 694 L HN 0.697 nan 8.230 nan 0.000 0.439 695 W N 4.209 125.558 121.300 0.081 0.000 2.739 695 W HA 0.471 5.138 4.660 0.012 0.000 0.331 695 W C -0.840 175.780 176.519 0.167 0.000 1.049 695 W CA -0.537 56.877 57.345 0.114 0.000 1.234 695 W CB 1.771 31.308 29.460 0.129 0.000 1.404 695 W HN 0.127 nan 8.180 nan 0.000 0.477 696 L N 3.643 125.144 121.223 0.464 0.000 2.282 696 L HA 0.719 5.067 4.340 0.012 0.000 0.288 696 L C -0.264 176.912 176.870 0.511 0.000 1.033 696 L CA 0.323 55.427 54.840 0.440 0.000 0.807 696 L CB 1.107 43.390 42.059 0.373 0.000 1.209 696 L HN 0.298 nan 8.230 nan 0.000 0.423 697 T N 5.154 119.952 114.554 0.408 0.000 2.824 697 T HA 0.667 5.024 4.350 0.012 0.000 0.282 697 T C -0.740 174.157 174.700 0.329 0.000 0.993 697 T CA -0.402 61.895 62.100 0.328 0.000 0.967 697 T CB 1.539 70.530 68.868 0.205 0.000 0.960 697 T HN 0.603 nan 8.240 nan 0.000 0.441 698 V N 1.725 121.803 119.914 0.274 0.000 2.769 698 V HA 0.851 4.978 4.120 0.012 0.000 0.312 698 V C -0.773 175.413 176.094 0.152 0.000 1.061 698 V CA -1.162 61.272 62.300 0.224 0.000 0.931 698 V CB 1.939 33.856 31.823 0.156 0.000 1.010 698 V HN 0.813 nan 8.190 nan 0.000 0.433 699 R N 2.116 122.734 120.500 0.196 0.000 2.725 699 R HA 0.788 5.136 4.340 0.012 0.000 0.277 699 R C -1.600 174.842 176.300 0.236 0.000 0.987 699 R CA -0.765 55.475 56.100 0.233 0.000 0.901 699 R CB 2.696 33.095 30.300 0.165 0.000 1.207 699 R HN 0.686 nan 8.270 nan 0.000 0.463 700 V N 3.278 123.356 119.914 0.274 0.000 2.394 700 V HA 0.379 4.506 4.120 0.012 0.000 0.282 700 V C -0.362 175.842 176.094 0.184 0.000 1.031 700 V CA -0.554 61.866 62.300 0.201 0.000 0.881 700 V CB 1.682 33.608 31.823 0.170 0.000 0.982 700 V HN 0.429 nan 8.190 nan 0.000 0.451 701 V N 5.212 125.213 119.914 0.144 0.000 2.555 701 V HA 0.411 4.539 4.120 0.012 0.000 0.302 701 V C -0.267 175.901 176.094 0.123 0.000 1.038 701 V CA -0.752 61.623 62.300 0.126 0.000 0.887 701 V CB 1.972 33.865 31.823 0.116 0.000 0.991 701 V HN 0.877 nan 8.190 nan 0.000 0.434 702 Q N 5.433 125.316 119.800 0.138 0.000 2.360 702 Q HA 0.277 4.624 4.340 0.012 0.000 0.254 702 Q C -1.805 174.233 176.000 0.065 0.000 0.975 702 Q CA -1.754 54.116 55.803 0.111 0.000 0.912 702 Q CB 2.007 30.824 28.738 0.132 0.000 1.212 702 Q HN 0.469 nan 8.270 nan 0.000 0.452 703 P HA -0.139 nan 4.420 nan 0.000 0.219 703 P C -0.559 176.747 177.300 0.010 0.000 1.150 703 P CA 1.103 64.224 63.100 0.034 0.000 0.814 703 P CB 0.403 32.124 31.700 0.036 0.000 0.787 704 N N -0.618 118.079 118.700 -0.006 0.000 2.456 704 N HA 0.458 5.205 4.740 0.012 0.000 0.296 704 N C -0.338 175.124 175.510 -0.080 0.000 1.102 704 N CA -0.731 52.299 53.050 -0.033 0.000 0.924 704 N CB 1.100 39.570 38.487 -0.029 0.000 1.186 704 N HN -0.074 nan 8.380 nan 0.000 0.492 705 A N 0.797 123.564 122.820 -0.088 0.000 2.406 705 A HA 0.455 4.783 4.320 0.012 0.000 0.243 705 A C 0.569 178.036 177.584 -0.195 0.000 1.082 705 A CA 0.010 51.959 52.037 -0.146 0.000 0.786 705 A CB 0.058 18.997 19.000 -0.102 0.000 1.029 705 A HN 0.708 nan 8.150 nan 0.000 0.495 706 T N -3.282 111.080 114.554 -0.319 0.000 2.742 706 T HA 0.626 4.984 4.350 0.012 0.000 0.282 706 T C 0.955 175.499 174.700 -0.261 0.000 1.025 706 T CA 0.061 61.949 62.100 -0.353 0.000 1.020 706 T CB 1.066 69.477 68.868 -0.761 0.000 1.317 706 T HN 1.389 nan 8.240 nan 0.000 0.538 707 A N -0.048 122.695 122.820 -0.130 0.000 2.067 707 A HA 0.100 4.427 4.320 0.012 0.000 0.219 707 A C 1.649 179.345 177.584 0.187 0.000 1.158 707 A CA 1.184 53.245 52.037 0.040 0.000 0.661 707 A CB -0.876 18.165 19.000 0.069 0.000 0.801 707 A HN 0.920 nan 8.150 nan 0.000 0.452 708 W N -0.743 120.619 121.300 0.104 0.000 2.870 708 W HA 0.434 5.102 4.660 0.013 0.000 0.358 708 W C -0.248 176.254 176.519 -0.029 0.000 1.043 708 W CA 0.456 57.855 57.345 0.089 0.000 1.692 708 W CB -1.016 28.493 29.460 0.082 0.000 1.100 708 W HN 0.411 nan 8.180 nan 0.000 0.557 709 S N -0.185 115.160 115.700 -0.592 0.000 2.570 709 S HA 0.432 4.910 4.470 0.012 0.000 0.270 709 S C -0.958 173.426 174.600 -0.359 0.000 1.149 709 S CA -0.777 57.081 58.200 -0.571 0.000 0.837 709 S CB 2.762 65.251 63.200 -1.184 0.000 1.124 709 S HN 0.109 nan 8.310 nan 0.000 0.465 710 E N 0.483 120.579 120.200 -0.172 0.000 2.280 710 E HA 0.583 4.940 4.350 0.012 0.000 0.264 710 E C 0.258 176.826 176.600 -0.053 0.000 1.064 710 E CA -0.845 55.508 56.400 -0.079 0.000 0.900 710 E CB 1.464 31.162 29.700 -0.004 0.000 1.123 710 E HN 0.880 nan 8.360 nan 0.000 0.418 711 A N 0.451 123.249 122.820 -0.037 0.000 2.531 711 A HA 0.347 4.675 4.320 0.012 0.000 0.236 711 A C 1.142 178.740 177.584 0.022 0.000 1.062 711 A CA 0.920 52.948 52.037 -0.015 0.000 0.760 711 A CB -0.468 18.524 19.000 -0.013 0.000 0.995 711 A HN 0.811 nan 8.150 nan 0.000 0.501 712 G N 0.552 109.376 108.800 0.041 0.000 2.176 712 G HA2 -0.260 3.707 3.960 0.012 0.000 0.253 712 G HA3 -0.260 3.707 3.960 0.012 0.000 0.253 712 G C 0.263 175.214 174.900 0.085 0.000 0.979 712 G CA 0.766 45.897 45.100 0.050 0.000 0.641 712 G HN 1.810 nan 8.290 nan 0.000 0.530 713 H N 0.657 119.735 119.070 0.014 0.000 3.001 713 H HA 0.432 4.996 4.556 0.012 0.000 0.334 713 H C 0.762 176.161 175.328 0.118 0.000 1.034 713 H CA 0.390 56.472 56.048 0.057 0.000 1.420 713 H CB 0.179 29.957 29.762 0.027 0.000 1.405 713 H HN 0.310 nan 8.280 nan 0.000 0.593 714 I N 4.428 124.791 120.570 -0.346 0.000 2.342 714 I HA 0.036 4.214 4.170 0.012 0.000 0.291 714 I C 0.847 176.849 176.117 -0.191 0.000 1.010 714 I CA 0.092 61.303 61.300 -0.149 0.000 1.308 714 I CB 1.536 39.497 38.000 -0.066 0.000 1.400 714 I HN 0.799 nan 8.210 nan 0.000 0.488 715 S N 4.006 119.804 115.700 0.164 0.000 2.512 715 S HA 0.582 5.060 4.470 0.012 0.000 0.216 715 S C 0.372 175.232 174.600 0.434 0.000 1.006 715 S CA -0.113 58.303 58.200 0.361 0.000 0.915 715 S CB 0.638 64.170 63.200 0.554 0.000 0.824 715 S HN 0.711 nan 8.310 nan 0.000 0.497 716 A N 0.580 123.690 122.820 0.482 0.000 2.608 716 A HA 0.684 5.011 4.320 0.012 0.000 0.292 716 A C -1.851 176.094 177.584 0.602 0.000 1.066 716 A CA -0.915 51.383 52.037 0.436 0.000 0.676 716 A CB 0.425 19.737 19.000 0.521 0.000 1.277 716 A HN 0.899 nan 8.150 nan 0.000 0.413 717 W N -0.248 121.232 121.300 0.301 0.000 3.005 717 W HA 0.811 5.479 4.660 0.013 0.000 0.343 717 W C -1.156 175.413 176.519 0.083 0.000 1.243 717 W CA -0.598 56.815 57.345 0.113 0.000 1.186 717 W CB 1.138 30.634 29.460 0.062 0.000 1.453 717 W HN 1.065 nan 8.180 nan 0.000 0.575 718 Q N 0.854 120.702 119.800 0.079 0.000 2.578 718 Q HA 0.473 4.820 4.340 0.012 0.000 0.284 718 Q C -1.659 174.183 176.000 -0.264 0.000 0.960 718 Q CA -0.481 55.213 55.803 -0.181 0.000 0.809 718 Q CB 2.302 30.755 28.738 -0.475 0.000 1.462 718 Q HN 0.620 nan 8.270 nan 0.000 0.392 719 Q N 1.024 120.596 119.800 -0.380 0.000 2.456 719 Q HA 0.625 4.972 4.340 0.012 0.000 0.283 719 Q C -1.193 174.687 176.000 -0.199 0.000 1.084 719 Q CA -0.738 55.047 55.803 -0.029 0.000 0.801 719 Q CB 2.562 31.483 28.738 0.306 0.000 1.434 719 Q HN 0.601 nan 8.270 nan 0.000 0.419 720 W N 0.807 122.275 121.300 0.280 0.000 3.127 720 W HA 0.441 5.108 4.660 0.012 0.000 0.330 720 W C -0.377 176.087 176.519 -0.091 0.000 1.187 720 W CA -0.676 56.733 57.345 0.107 0.000 1.198 720 W CB 1.812 31.297 29.460 0.042 0.000 1.408 720 W HN 0.423 nan 8.180 nan 0.000 0.529 721 R N 1.760 122.116 120.500 -0.239 0.000 2.438 721 R HA 0.388 4.736 4.340 0.012 0.000 0.287 721 R C 0.495 176.656 176.300 -0.232 0.000 1.077 721 R CA -0.001 55.710 56.100 -0.648 0.000 1.034 721 R CB 0.927 30.785 30.300 -0.736 0.000 0.993 721 R HN 0.309 nan 8.270 nan 0.000 0.459 722 L N 1.337 122.436 121.223 -0.207 0.000 2.793 722 L HA 0.524 4.871 4.340 0.012 0.000 0.188 722 L C 0.563 177.360 176.870 -0.123 0.000 1.949 722 L CA -1.034 53.743 54.840 -0.104 0.000 2.556 722 L CB -0.106 41.929 42.059 -0.041 0.000 2.898 722 L HN 0.585 nan 8.230 nan 0.000 0.621 723 A N 0.289 123.061 122.820 -0.079 0.000 2.445 723 A HA 0.215 4.542 4.320 0.012 0.000 0.242 723 A C -0.321 177.215 177.584 -0.079 0.000 1.075 723 A CA 0.152 52.147 52.037 -0.070 0.000 0.777 723 A CB 0.160 19.135 19.000 -0.041 0.000 1.013 723 A HN 0.598 nan 8.150 nan 0.000 0.493 724 E N 1.073 121.230 120.200 -0.072 0.000 2.199 724 E HA 0.313 4.670 4.350 0.012 0.000 0.269 724 E C -1.339 175.245 176.600 -0.027 0.000 0.899 724 E CA -0.698 55.665 56.400 -0.061 0.000 0.772 724 E CB 0.824 30.476 29.700 -0.079 0.000 1.155 724 E HN 0.677 nan 8.360 nan 0.000 0.408 725 N N 4.998 123.693 118.700 -0.007 0.000 2.564 725 N HA 0.255 5.003 4.740 0.012 0.000 0.248 725 N C -0.593 174.925 175.510 0.014 0.000 0.986 725 N CA -0.324 52.728 53.050 0.004 0.000 0.921 725 N CB 1.053 39.547 38.487 0.012 0.000 1.136 725 N HN 0.474 nan 8.380 nan 0.000 0.509 726 L N 0.692 121.923 121.223 0.012 0.000 2.485 726 L HA 0.074 4.422 4.340 0.012 0.000 0.275 726 L C 1.327 178.215 176.870 0.029 0.000 1.207 726 L CA 0.229 55.083 54.840 0.023 0.000 0.855 726 L CB 0.400 42.472 42.059 0.021 0.000 1.114 726 L HN 0.340 nan 8.230 nan 0.000 0.485 727 S N 1.381 117.104 115.700 0.039 0.000 2.505 727 S HA 0.242 4.720 4.470 0.012 0.000 0.276 727 S C 0.579 175.201 174.600 0.036 0.000 1.274 727 S CA -0.722 57.502 58.200 0.039 0.000 1.053 727 S CB 0.847 64.076 63.200 0.048 0.000 0.919 727 S HN 0.474 nan 8.310 nan 0.000 0.490 728 V N 2.190 122.122 119.914 0.030 0.000 3.432 728 V HA 0.334 4.462 4.120 0.012 0.000 0.298 728 V C 0.529 176.638 176.094 0.026 0.000 1.464 728 V CA 0.069 62.385 62.300 0.026 0.000 1.046 728 V CB -0.556 31.280 31.823 0.021 0.000 0.887 728 V HN 0.824 nan 8.190 nan 0.000 0.441 729 T N 1.033 115.604 114.554 0.028 0.000 2.814 729 T HA 0.657 5.015 4.350 0.012 0.000 0.297 729 T C -0.309 174.408 174.700 0.028 0.000 0.956 729 T CA -0.251 61.865 62.100 0.027 0.000 1.123 729 T CB 1.510 70.395 68.868 0.028 0.000 0.902 729 T HN 0.222 nan 8.240 nan 0.000 0.528 730 L N 4.511 125.748 121.223 0.023 0.000 2.395 730 L HA 0.425 4.772 4.340 0.012 0.000 0.269 730 L C -1.533 175.351 176.870 0.023 0.000 1.133 730 L CA -1.560 53.293 54.840 0.022 0.000 0.812 730 L CB -0.068 42.000 42.059 0.015 0.000 1.125 730 L HN 0.593 nan 8.230 nan 0.000 0.452 731 P HA 0.330 nan 4.420 nan 0.000 0.280 731 P C -0.682 176.626 177.300 0.012 0.000 1.244 731 P CA -0.583 62.532 63.100 0.025 0.000 0.784 731 P CB 1.027 32.745 31.700 0.029 0.000 0.913 732 A N 2.630 125.459 122.820 0.015 0.000 2.504 732 A HA 0.412 4.739 4.320 0.012 0.000 0.242 732 A C 0.630 178.185 177.584 -0.049 0.000 1.100 732 A CA 0.216 52.252 52.037 -0.001 0.000 0.786 732 A CB -0.487 18.530 19.000 0.029 0.000 1.050 732 A HN 0.701 nan 8.150 nan 0.000 0.512 733 A N 0.709 123.471 122.820 -0.097 0.000 2.351 733 A HA 0.537 4.864 4.320 0.012 0.000 0.257 733 A C 0.748 178.092 177.584 -0.400 0.000 1.087 733 A CA 0.289 52.222 52.037 -0.173 0.000 0.798 733 A CB -0.152 18.762 19.000 -0.143 0.000 1.033 733 A HN 1.936 nan 8.150 nan 0.000 0.488 734 S N 0.901 116.405 115.700 -0.328 0.000 2.475 734 S HA 0.372 4.850 4.470 0.012 0.000 0.281 734 S C -0.324 174.043 174.600 -0.390 0.000 1.198 734 S CA -0.584 57.390 58.200 -0.376 0.000 1.063 734 S CB 0.128 63.279 63.200 -0.082 0.000 0.972 734 S HN 0.649 nan 8.310 nan 0.000 0.486 735 H N 2.034 121.117 119.070 0.022 0.000 3.001 735 H HA 0.677 5.240 4.556 0.012 0.000 0.248 735 H C 0.342 175.683 175.328 0.022 0.000 1.663 735 H CA 0.299 56.358 56.048 0.019 0.000 1.258 735 H CB -0.967 28.805 29.762 0.016 0.000 1.547 735 H HN 0.958 nan 8.280 nan 0.000 0.557 736 A N 1.322 124.188 122.820 0.076 0.000 2.586 736 A HA 0.431 4.759 4.320 0.012 0.000 0.298 736 A C -1.730 175.889 177.584 0.059 0.000 1.013 736 A CA -0.837 51.247 52.037 0.078 0.000 0.707 736 A CB 1.087 20.148 19.000 0.101 0.000 1.276 736 A HN 0.295 nan 8.150 nan 0.000 0.414 737 I N 1.752 122.369 120.570 0.079 0.000 2.499 737 I HA 0.696 4.874 4.170 0.012 0.000 0.288 737 I C -3.008 173.193 176.117 0.140 0.000 1.048 737 I CA -2.345 59.006 61.300 0.086 0.000 1.062 737 I CB 1.812 39.852 38.000 0.066 0.000 1.238 737 I HN 0.352 nan 8.210 nan 0.000 0.426 738 P HA 0.284 nan 4.420 nan 0.000 0.271 738 P C -1.095 176.343 177.300 0.230 0.000 1.218 738 P CA 0.226 63.413 63.100 0.144 0.000 0.780 738 P CB 0.361 32.089 31.700 0.046 0.000 0.901 739 H N 0.782 119.883 119.070 0.052 0.000 2.472 739 H HA 0.428 4.992 4.556 0.012 0.000 0.338 739 H C -0.649 174.708 175.328 0.049 0.000 1.133 739 H CA -0.930 55.140 56.048 0.037 0.000 1.216 739 H CB 1.696 31.482 29.762 0.040 0.000 1.497 739 H HN 0.256 nan 8.280 nan 0.000 0.500 740 L N 2.116 123.376 121.223 0.063 0.000 2.317 740 L HA 0.361 4.708 4.340 0.012 0.000 0.281 740 L C -0.580 176.334 176.870 0.073 0.000 1.024 740 L CA -0.048 54.828 54.840 0.060 0.000 0.810 740 L CB 1.839 43.882 42.059 -0.025 0.000 1.240 740 L HN 0.509 nan 8.230 nan 0.000 0.427 741 T N 3.193 117.821 114.554 0.123 0.000 2.879 741 T HA 0.588 4.945 4.350 0.012 0.000 0.290 741 T C -0.663 174.134 174.700 0.163 0.000 0.993 741 T CA -0.371 61.798 62.100 0.115 0.000 0.975 741 T CB 1.401 70.328 68.868 0.099 0.000 0.981 741 T HN 0.714 nan 8.240 nan 0.000 0.439 742 T N 2.500 117.143 114.554 0.149 0.000 2.912 742 T HA 0.827 5.184 4.350 0.012 0.000 0.288 742 T C -0.310 174.432 174.700 0.070 0.000 1.030 742 T CA -0.758 61.449 62.100 0.179 0.000 1.020 742 T CB 1.567 70.565 68.868 0.217 0.000 1.056 742 T HN 0.729 nan 8.240 nan 0.000 0.480 743 S N 0.152 115.851 115.700 -0.002 0.000 2.671 743 S HA 0.453 4.930 4.470 0.012 0.000 0.277 743 S C 0.778 175.322 174.600 -0.093 0.000 1.165 743 S CA -0.887 57.296 58.200 -0.029 0.000 0.822 743 S CB 1.671 64.860 63.200 -0.018 0.000 1.150 743 S HN 0.723 nan 8.310 nan 0.000 0.479 744 E N -0.465 119.692 120.200 -0.073 0.000 2.160 744 E HA -0.123 4.235 4.350 0.012 0.000 0.195 744 E C 1.050 177.567 176.600 -0.139 0.000 0.991 744 E CA 1.264 57.607 56.400 -0.095 0.000 0.810 744 E CB -0.103 29.564 29.700 -0.055 0.000 0.742 744 E HN 0.565 nan 8.360 nan 0.000 0.466 745 M N 0.243 119.775 119.600 -0.113 0.000 2.492 745 M HA 0.154 4.642 4.480 0.012 0.000 0.255 745 M C -0.162 176.057 176.300 -0.134 0.000 1.139 745 M CA 0.571 55.809 55.300 -0.103 0.000 1.096 745 M CB 0.382 32.957 32.600 -0.042 0.000 1.360 745 M HN -0.118 nan 8.290 nan 0.000 0.480 746 D N -1.102 119.195 120.400 -0.172 0.000 2.583 746 D HA 0.421 5.069 4.640 0.012 0.000 0.248 746 D C -1.514 174.678 176.300 -0.181 0.000 1.209 746 D CA -0.317 53.605 54.000 -0.130 0.000 0.848 746 D CB 2.280 43.093 40.800 0.022 0.000 1.431 746 D HN -0.086 nan 8.370 nan 0.000 0.436 747 F N 0.833 120.864 119.950 0.135 0.000 2.449 747 F HA 0.393 4.927 4.527 0.012 0.000 0.342 747 F C -0.013 175.919 175.800 0.220 0.000 1.127 747 F CA -0.772 57.304 58.000 0.126 0.000 0.975 747 F CB 1.352 40.385 39.000 0.056 0.000 1.146 747 F HN 0.048 nan 8.300 nan 0.000 0.444 748 C N 4.848 124.365 119.300 0.361 0.000 2.379 748 C HA 0.749 5.217 4.460 0.012 0.000 0.323 748 C C -0.174 174.989 174.990 0.288 0.000 1.262 748 C CA -0.936 58.266 59.018 0.307 0.000 1.581 748 C CB 0.572 28.421 27.740 0.181 0.000 2.221 748 C HN 0.595 nan 8.230 nan 0.000 0.497 749 I N 2.313 123.103 120.570 0.366 0.000 2.509 749 I HA 0.510 4.687 4.170 0.012 0.000 0.293 749 I C -0.192 176.190 176.117 0.441 0.000 1.020 749 I CA -0.105 61.398 61.300 0.338 0.000 1.088 749 I CB 1.584 39.769 38.000 0.309 0.000 1.267 749 I HN 0.684 nan 8.210 nan 0.000 0.430 750 E N 5.752 126.150 120.200 0.329 0.000 2.272 750 E HA 0.716 5.074 4.350 0.012 0.000 0.269 750 E C -1.885 174.876 176.600 0.269 0.000 0.877 750 E CA -0.820 55.746 56.400 0.276 0.000 0.755 750 E CB 2.263 32.030 29.700 0.111 0.000 1.192 750 E HN 0.516 nan 8.360 nan 0.000 0.422 751 L N 5.182 126.584 121.223 0.299 0.000 2.555 751 L HA 0.544 4.892 4.340 0.012 0.000 0.264 751 L C 0.182 177.136 176.870 0.141 0.000 0.972 751 L CA 0.716 55.694 54.840 0.231 0.000 0.876 751 L CB 1.233 43.492 42.059 0.333 0.000 1.216 751 L HN 0.812 nan 8.230 nan 0.000 0.415 752 G N 4.509 113.343 108.800 0.057 0.000 2.622 752 G HA2 -0.441 3.526 3.960 0.012 0.000 0.307 752 G HA3 -0.441 3.526 3.960 0.012 0.000 0.307 752 G C 0.540 175.436 174.900 -0.006 0.000 1.226 752 G CA 0.661 45.774 45.100 0.021 0.000 0.997 752 G HN 1.283 nan 8.290 nan 0.000 0.551 753 N N 1.543 120.235 118.700 -0.014 0.000 2.370 753 N HA 0.136 4.883 4.740 0.012 0.000 0.198 753 N C 0.387 175.850 175.510 -0.079 0.000 1.156 753 N CA 0.884 53.907 53.050 -0.044 0.000 0.839 753 N CB 0.193 38.655 38.487 -0.041 0.000 0.989 753 N HN 0.746 nan 8.380 nan 0.000 0.468 754 K N 0.108 120.456 120.400 -0.087 0.000 2.267 754 K HA 0.531 4.859 4.320 0.012 0.000 0.246 754 K C -0.470 175.951 176.600 -0.298 0.000 0.954 754 K CA -0.666 55.452 56.287 -0.282 0.000 0.824 754 K CB 2.239 34.507 32.500 -0.386 0.000 1.167 754 K HN -0.025 nan 8.250 nan 0.000 0.431 755 R N 1.081 121.305 120.500 -0.459 0.000 2.725 755 R HA 0.438 4.785 4.340 0.012 0.000 0.277 755 R C -1.284 174.882 176.300 -0.223 0.000 0.987 755 R CA -0.862 55.149 56.100 -0.148 0.000 0.901 755 R CB 1.842 32.110 30.300 -0.053 0.000 1.207 755 R HN 0.545 nan 8.270 nan 0.000 0.463 756 W N 1.966 123.382 121.300 0.193 0.000 2.883 756 W HA 0.344 5.011 4.660 0.012 0.000 0.335 756 W C -0.563 176.058 176.519 0.169 0.000 1.083 756 W CA -0.576 56.834 57.345 0.107 0.000 1.233 756 W CB 2.295 31.801 29.460 0.077 0.000 1.412 756 W HN 0.412 nan 8.180 nan 0.000 0.490 757 Q N 2.462 122.405 119.800 0.238 0.000 2.325 757 Q HA 0.477 4.824 4.340 0.012 0.000 0.270 757 Q C -1.912 174.095 176.000 0.012 0.000 1.020 757 Q CA -0.451 55.498 55.803 0.244 0.000 0.785 757 Q CB 1.427 30.360 28.738 0.324 0.000 1.259 757 Q HN 0.331 nan 8.270 nan 0.000 0.452 758 F N 2.671 122.716 119.950 0.159 0.000 2.426 758 F HA 0.335 4.869 4.527 0.012 0.000 0.348 758 F C 0.466 176.307 175.800 0.068 0.000 1.124 758 F CA -0.901 57.160 58.000 0.103 0.000 1.008 758 F CB 1.412 40.478 39.000 0.110 0.000 1.139 758 F HN 0.505 nan 8.300 nan 0.000 0.452 759 N N 3.566 122.383 118.700 0.196 0.000 2.442 759 N HA 0.087 4.834 4.740 0.012 0.000 0.265 759 N C 0.866 176.403 175.510 0.047 0.000 1.138 759 N CA 0.022 53.133 53.050 0.101 0.000 0.956 759 N CB 0.771 39.323 38.487 0.109 0.000 1.067 759 N HN 0.698 nan 8.380 nan 0.000 0.474 760 R N 2.265 122.719 120.500 -0.077 0.000 2.236 760 R HA -0.069 4.278 4.340 0.012 0.000 0.208 760 R C 1.651 177.900 176.300 -0.085 0.000 1.036 760 R CA 0.655 56.666 56.100 -0.147 0.000 1.001 760 R CB 0.196 30.284 30.300 -0.354 0.000 0.896 760 R HN 0.683 nan 8.270 nan 0.000 0.464 761 Q N 0.495 120.270 119.800 -0.041 0.000 2.165 761 Q HA -0.069 4.278 4.340 0.012 0.000 0.197 761 Q C 1.858 177.860 176.000 0.003 0.000 0.952 761 Q CA 1.533 57.323 55.803 -0.020 0.000 0.848 761 Q CB 0.289 29.030 28.738 0.004 0.000 0.931 761 Q HN 0.307 nan 8.270 nan 0.000 0.470 762 S N -1.729 113.999 115.700 0.046 0.000 2.458 762 S HA 0.187 4.664 4.470 0.012 0.000 0.223 762 S C 1.411 175.968 174.600 -0.072 0.000 1.019 762 S CA 0.677 58.929 58.200 0.087 0.000 0.937 762 S CB 0.473 63.833 63.200 0.267 0.000 0.788 762 S HN 0.628 nan 8.310 nan 0.000 0.511 763 G N 0.393 109.155 108.800 -0.063 0.000 2.143 763 G HA2 -0.209 3.759 3.960 0.012 0.000 0.249 763 G HA3 -0.209 3.759 3.960 0.012 0.000 0.249 763 G C -0.098 174.710 174.900 -0.152 0.000 0.981 763 G CA 0.248 45.273 45.100 -0.124 0.000 0.665 763 G HN 0.533 nan 8.290 nan 0.000 0.528 764 F N -1.339 118.791 119.950 0.300 0.000 2.575 764 F HA 0.688 5.222 4.527 0.012 0.000 0.330 764 F C 0.476 176.316 175.800 0.067 0.000 1.056 764 F CA -1.491 56.649 58.000 0.233 0.000 0.964 764 F CB 1.398 40.486 39.000 0.147 0.000 1.258 764 F HN 0.010 nan 8.300 nan 0.000 0.484 765 L N 1.813 123.090 121.223 0.090 0.000 2.485 765 L HA 0.162 4.509 4.340 0.012 0.000 0.279 765 L C 0.975 177.743 176.870 -0.170 0.000 1.124 765 L CA 0.456 55.020 54.840 -0.460 0.000 0.888 765 L CB 0.376 42.101 42.059 -0.557 0.000 1.217 765 L HN 0.703 nan 8.230 nan 0.000 0.464 766 S N 2.612 118.217 115.700 -0.158 0.000 2.492 766 S HA 0.242 4.720 4.470 0.012 0.000 0.218 766 S C 0.588 175.076 174.600 -0.187 0.000 1.016 766 S CA -0.058 58.090 58.200 -0.088 0.000 0.916 766 S CB 0.109 63.311 63.200 0.003 0.000 0.791 766 S HN 0.675 nan 8.310 nan 0.000 0.513 767 Q N -0.253 119.382 119.800 -0.276 0.000 2.527 767 Q HA 0.678 5.026 4.340 0.012 0.000 0.280 767 Q C -1.967 173.707 176.000 -0.543 0.000 0.977 767 Q CA -0.286 55.222 55.803 -0.492 0.000 0.837 767 Q CB 1.767 30.091 28.738 -0.690 0.000 1.454 767 Q HN 0.438 nan 8.270 nan 0.000 0.387 768 M N 1.466 120.629 119.600 -0.729 0.000 2.484 768 M HA 0.579 5.066 4.480 0.012 0.000 0.289 768 M C -1.545 174.366 176.300 -0.650 0.000 1.206 768 M CA -0.424 54.526 55.300 -0.585 0.000 0.892 768 M CB 2.214 34.439 32.600 -0.626 0.000 1.712 768 M HN 0.498 nan 8.290 nan 0.000 0.462 769 W N 3.424 124.483 121.300 -0.401 0.000 2.702 769 W HA 0.642 5.310 4.660 0.012 0.000 0.331 769 W C -1.336 174.981 176.519 -0.337 0.000 1.049 769 W CA -0.636 56.537 57.345 -0.286 0.000 1.230 769 W CB 1.641 30.971 29.460 -0.217 0.000 1.408 769 W HN 0.464 nan 8.180 nan 0.000 0.492 770 I N 2.644 123.188 120.570 -0.044 0.000 2.410 770 I HA 0.464 4.641 4.170 0.012 0.000 0.286 770 I C 0.799 176.894 176.117 -0.036 0.000 1.009 770 I CA 0.218 61.459 61.300 -0.098 0.000 1.111 770 I CB 1.332 39.252 38.000 -0.133 0.000 1.262 770 I HN 0.708 nan 8.210 nan 0.000 0.443 771 G N 5.702 114.479 108.800 -0.039 0.000 2.527 771 G HA2 -0.242 3.726 3.960 0.012 0.000 0.268 771 G HA3 -0.242 3.726 3.960 0.012 0.000 0.268 771 G C 0.074 174.986 174.900 0.020 0.000 1.175 771 G CA 0.208 45.294 45.100 -0.023 0.000 0.962 771 G HN 0.618 nan 8.290 nan 0.000 0.560 772 D N 1.026 121.449 120.400 0.039 0.000 2.593 772 D HA 0.309 4.957 4.640 0.012 0.000 0.241 772 D C 0.423 176.864 176.300 0.234 0.000 1.257 772 D CA 0.022 54.083 54.000 0.100 0.000 0.828 772 D CB 0.755 41.561 40.800 0.011 0.000 1.049 772 D HN 0.182 nan 8.370 nan 0.000 0.490 773 K N 1.145 121.632 120.400 0.145 0.000 2.183 773 K HA 0.246 4.574 4.320 0.012 0.000 0.274 773 K C 0.134 176.693 176.600 -0.068 0.000 1.009 773 K CA -0.405 55.919 56.287 0.062 0.000 0.888 773 K CB 1.514 34.001 32.500 -0.022 0.000 1.078 773 K HN -0.209 nan 8.250 nan 0.000 0.459 774 K N 2.341 122.612 120.400 -0.215 0.000 2.448 774 K HA -0.028 4.300 4.320 0.012 0.000 0.278 774 K C 0.663 177.056 176.600 -0.345 0.000 1.009 774 K CA 0.118 56.067 56.287 -0.564 0.000 0.995 774 K CB 0.617 32.847 32.500 -0.451 0.000 0.917 774 K HN 0.451 nan 8.250 nan 0.000 0.481 775 Q N 1.481 121.050 119.800 -0.386 0.000 2.350 775 Q HA 0.200 4.547 4.340 0.012 0.000 0.225 775 Q C 0.077 175.993 176.000 -0.141 0.000 0.878 775 Q CA 0.438 56.148 55.803 -0.155 0.000 0.935 775 Q CB 0.583 29.278 28.738 -0.072 0.000 1.099 775 Q HN 0.506 nan 8.270 nan 0.000 0.527 776 L N 0.421 121.494 121.223 -0.251 0.000 2.354 776 L HA 0.400 4.747 4.340 0.012 0.000 0.269 776 L C 0.873 177.610 176.870 -0.222 0.000 1.005 776 L CA -0.402 54.314 54.840 -0.206 0.000 0.819 776 L CB 1.806 43.730 42.059 -0.225 0.000 1.311 776 L HN -0.078 nan 8.230 nan 0.000 0.423 777 L N 0.346 121.432 121.223 -0.228 0.000 2.425 777 L HA 0.171 4.519 4.340 0.012 0.000 0.215 777 L C 0.616 177.368 176.870 -0.198 0.000 1.065 777 L CA 0.471 55.184 54.840 -0.213 0.000 0.842 777 L CB 0.518 42.437 42.059 -0.233 0.000 1.033 777 L HN 0.753 nan 8.230 nan 0.000 0.474 778 T N -3.091 111.317 114.554 -0.243 0.000 2.909 778 T HA 0.549 4.907 4.350 0.012 0.000 0.299 778 T C -2.862 171.756 174.700 -0.137 0.000 1.073 778 T CA -2.043 59.962 62.100 -0.158 0.000 0.999 778 T CB 2.319 71.115 68.868 -0.120 0.000 1.098 778 T HN -0.314 nan 8.240 nan 0.000 0.477 779 P HA 0.276 nan 4.420 nan 0.000 0.271 779 P C -0.602 176.647 177.300 -0.086 0.000 1.233 779 P CA -0.778 62.278 63.100 -0.073 0.000 0.789 779 P CB 0.307 31.994 31.700 -0.022 0.000 0.951 780 L N 2.551 123.756 121.223 -0.031 0.000 2.315 780 L HA 0.278 4.625 4.340 0.012 0.000 0.283 780 L C 0.095 176.886 176.870 -0.130 0.000 1.089 780 L CA 0.633 55.484 54.840 0.020 0.000 0.833 780 L CB -0.635 41.542 42.059 0.196 0.000 1.170 780 L HN 0.288 nan 8.230 nan 0.000 0.442 781 R N 2.789 123.129 120.500 -0.266 0.000 2.808 781 R HA 0.442 4.790 4.340 0.012 0.000 0.272 781 R C -1.042 175.112 176.300 -0.243 0.000 0.995 781 R CA -1.050 54.710 56.100 -0.568 0.000 0.917 781 R CB 1.323 31.183 30.300 -0.734 0.000 1.217 781 R HN 0.556 nan 8.270 nan 0.000 0.471 782 D N 1.154 121.476 120.400 -0.130 0.000 2.382 782 D HA 0.050 4.697 4.640 0.012 0.000 0.240 782 D C -0.432 175.498 176.300 -0.618 0.000 1.146 782 D CA 0.383 54.171 54.000 -0.352 0.000 0.897 782 D CB 0.673 41.209 40.800 -0.440 0.000 1.197 782 D HN 0.205 nan 8.370 nan 0.000 0.432 783 Q N 1.067 120.304 119.800 -0.939 0.000 2.285 783 Q HA 0.328 4.676 4.340 0.012 0.000 0.269 783 Q C -1.267 173.998 176.000 -1.226 0.000 1.030 783 Q CA -0.562 54.736 55.803 -0.842 0.000 0.788 783 Q CB 0.806 29.267 28.738 -0.462 0.000 1.266 783 Q HN 0.579 nan 8.270 nan 0.000 0.438 784 F N 0.777 120.330 119.950 -0.662 0.000 2.706 784 F HA 0.197 4.731 4.527 0.012 0.000 0.313 784 F C 0.644 175.993 175.800 -0.751 0.000 1.096 784 F CA -0.172 57.316 58.000 -0.853 0.000 1.219 784 F CB 1.574 39.722 39.000 -1.419 0.000 1.051 784 F HN 0.451 nan 8.300 nan 0.000 0.568 785 T N -0.857 113.377 114.554 -0.532 0.000 2.916 785 T HA 0.755 5.112 4.350 0.012 0.000 0.292 785 T C -0.568 173.864 174.700 -0.447 0.000 1.064 785 T CA -0.985 60.723 62.100 -0.652 0.000 1.011 785 T CB 2.711 71.104 68.868 -0.792 0.000 1.152 785 T HN 0.233 nan 8.240 nan 0.000 0.510 786 R N -0.020 120.252 120.500 -0.380 0.000 2.837 786 R HA 0.794 5.142 4.340 0.012 0.000 0.271 786 R C -0.790 175.550 176.300 0.067 0.000 0.993 786 R CA -1.265 54.754 56.100 -0.135 0.000 0.931 786 R CB 1.527 31.755 30.300 -0.120 0.000 1.206 786 R HN 0.810 nan 8.270 nan 0.000 0.474 787 A N 3.139 125.991 122.820 0.054 0.000 2.491 787 A HA 0.314 4.641 4.320 0.012 0.000 0.261 787 A C -2.018 175.631 177.584 0.109 0.000 1.101 787 A CA -1.429 50.647 52.037 0.064 0.000 0.772 787 A CB -0.344 18.638 19.000 -0.030 0.000 1.043 787 A HN 0.581 nan 8.150 nan 0.000 0.501 788 P HA 0.166 nan 4.420 nan 0.000 0.268 788 P C -0.297 177.121 177.300 0.195 0.000 1.204 788 P CA 0.198 63.458 63.100 0.267 0.000 0.768 788 P CB 0.511 32.417 31.700 0.343 0.000 0.842 789 L N 2.391 123.698 121.223 0.138 0.000 2.466 789 L HA 0.145 4.492 4.340 0.012 0.000 0.257 789 L C 1.861 178.752 176.870 0.035 0.000 1.189 789 L CA -0.418 54.440 54.840 0.031 0.000 0.813 789 L CB -0.091 41.916 42.059 -0.087 0.000 1.118 789 L HN 0.317 nan 8.230 nan 0.000 0.471 790 D N 0.459 120.823 120.400 -0.060 0.000 2.158 790 D HA -0.162 4.485 4.640 0.012 0.000 0.197 790 D C 1.548 177.783 176.300 -0.110 0.000 0.995 790 D CA 1.415 55.301 54.000 -0.189 0.000 0.846 790 D CB 0.047 40.658 40.800 -0.313 0.000 0.941 790 D HN 0.485 nan 8.370 nan 0.000 0.456 791 N N 0.913 119.570 118.700 -0.073 0.000 2.396 791 N HA -0.093 4.655 4.740 0.012 0.000 0.180 791 N C 1.076 176.610 175.510 0.040 0.000 1.028 791 N CA 0.592 53.628 53.050 -0.023 0.000 0.893 791 N CB -0.051 38.414 38.487 -0.036 0.000 0.967 791 N HN 0.233 nan 8.380 nan 0.000 0.440 792 D N 0.332 120.768 120.400 0.061 0.000 2.234 792 D HA 0.076 4.723 4.640 0.012 0.000 0.205 792 D C 1.929 178.281 176.300 0.086 0.000 0.962 792 D CA 0.352 54.421 54.000 0.115 0.000 0.855 792 D CB 0.250 41.193 40.800 0.238 0.000 0.951 792 D HN 0.312 nan 8.370 nan 0.000 0.500 793 I N 0.138 120.744 120.570 0.060 0.000 2.585 793 I HA 0.071 4.249 4.170 0.012 0.000 0.254 793 I C 1.820 177.963 176.117 0.043 0.000 1.129 793 I CA 0.511 61.834 61.300 0.037 0.000 1.455 793 I CB -0.315 37.678 38.000 -0.013 0.000 1.111 793 I HN 0.029 nan 8.210 nan 0.000 0.433 794 G N 1.659 110.501 108.800 0.070 0.000 2.634 794 G HA2 -0.370 3.597 3.960 0.012 0.000 0.309 794 G HA3 -0.370 3.597 3.960 0.012 0.000 0.309 794 G C 0.810 175.866 174.900 0.261 0.000 1.265 794 G CA 1.056 46.262 45.100 0.176 0.000 0.998 794 G HN 0.502 nan 8.290 nan 0.000 0.551 795 V N -1.665 118.349 119.914 0.167 0.000 3.623 795 V HA 0.540 4.667 4.120 0.012 0.000 0.271 795 V C 1.369 177.479 176.094 0.027 0.000 1.248 795 V CA 1.390 63.730 62.300 0.067 0.000 1.156 795 V CB -0.131 31.636 31.823 -0.094 0.000 0.870 795 V HN 1.150 nan 8.190 nan 0.000 0.453 796 S N 0.939 116.657 115.700 0.030 0.000 2.560 796 S HA 0.305 4.782 4.470 0.012 0.000 0.284 796 S C -0.118 174.489 174.600 0.012 0.000 1.327 796 S CA 0.047 58.251 58.200 0.005 0.000 1.055 796 S CB 0.400 63.600 63.200 0.000 0.000 0.868 796 S HN 0.821 nan 8.310 nan 0.000 0.506 797 E N 1.311 121.513 120.200 0.003 0.000 2.367 797 E HA 0.581 4.938 4.350 0.012 0.000 0.273 797 E C 0.420 177.026 176.600 0.010 0.000 0.903 797 E CA -0.453 55.953 56.400 0.011 0.000 0.764 797 E CB 1.520 31.223 29.700 0.005 0.000 1.252 797 E HN 0.608 nan 8.360 nan 0.000 0.446 798 A N 1.111 123.943 122.820 0.020 0.000 1.940 798 A HA -0.178 4.149 4.320 0.012 0.000 0.219 798 A C 1.975 179.566 177.584 0.012 0.000 1.176 798 A CA 2.336 54.384 52.037 0.018 0.000 0.631 798 A CB -0.775 18.241 19.000 0.026 0.000 0.814 798 A HN 0.631 nan 8.150 nan 0.000 0.446 799 T N -2.957 111.603 114.554 0.010 0.000 3.118 799 T HA 0.074 4.431 4.350 0.012 0.000 0.260 799 T C 0.750 175.446 174.700 -0.008 0.000 1.139 799 T CA 0.806 62.908 62.100 0.003 0.000 1.085 799 T CB -0.206 68.665 68.868 0.005 0.000 0.934 799 T HN 0.427 nan 8.240 nan 0.000 0.518 800 R N 0.733 121.226 120.500 -0.012 0.000 3.189 800 R HA 0.268 4.616 4.340 0.012 0.000 0.222 800 R C -1.464 174.822 176.300 -0.024 0.000 1.735 800 R CA -0.640 55.446 56.100 -0.024 0.000 1.129 800 R CB -0.000 30.278 30.300 -0.036 0.000 1.549 800 R HN 0.172 nan 8.270 nan 0.000 0.525 801 I N 2.171 122.729 120.570 -0.019 0.000 2.648 801 I HA 0.023 4.200 4.170 0.012 0.000 0.284 801 I C 0.373 176.470 176.117 -0.033 0.000 1.153 801 I CA 0.036 61.324 61.300 -0.020 0.000 1.426 801 I CB 0.856 38.847 38.000 -0.015 0.000 1.381 801 I HN 0.486 nan 8.210 nan 0.000 0.571 802 D N 8.971 129.348 120.400 -0.037 0.000 2.454 802 D HA 0.293 4.940 4.640 0.012 0.000 0.225 802 D C -1.773 174.485 176.300 -0.071 0.000 1.081 802 D CA -2.181 51.788 54.000 -0.052 0.000 0.864 802 D CB 1.548 42.319 40.800 -0.048 0.000 1.040 802 D HN 0.212 nan 8.370 nan 0.000 0.517 803 P HA -0.093 nan 4.420 nan 0.000 0.228 803 P C 0.764 177.976 177.300 -0.147 0.000 1.151 803 P CA 0.551 63.595 63.100 -0.094 0.000 0.770 803 P CB 0.418 32.072 31.700 -0.077 0.000 0.786 804 N N 0.095 118.702 118.700 -0.155 0.000 2.424 804 N HA 0.058 4.805 4.740 0.012 0.000 0.178 804 N C 0.458 175.783 175.510 -0.308 0.000 1.060 804 N CA 0.005 52.919 53.050 -0.227 0.000 0.901 804 N CB -0.408 37.971 38.487 -0.178 0.000 0.979 804 N HN -0.046 nan 8.380 nan 0.000 0.451 805 A N -0.416 122.270 122.820 -0.222 0.000 2.498 805 A HA 0.082 4.409 4.320 0.012 0.000 0.239 805 A C 0.705 178.093 177.584 -0.328 0.000 1.068 805 A CA -0.342 51.563 52.037 -0.221 0.000 0.766 805 A CB -0.176 18.767 19.000 -0.095 0.000 1.003 805 A HN 0.530 nan 8.150 nan 0.000 0.497 806 W N 1.716 122.770 121.300 -0.411 0.000 2.318 806 W HA -0.208 4.459 4.660 0.012 0.000 0.313 806 W C 2.242 178.188 176.519 -0.956 0.000 1.221 806 W CA 1.813 58.651 57.345 -0.846 0.000 1.266 806 W CB -0.427 28.399 29.460 -1.056 0.000 1.150 806 W HN 0.561 nan 8.180 nan 0.000 0.496 807 V N 0.892 120.681 119.914 -0.208 0.000 2.392 807 V HA -0.281 3.846 4.120 0.012 0.000 0.249 807 V C 2.123 178.299 176.094 0.138 0.000 1.059 807 V CA 2.184 64.579 62.300 0.158 0.000 1.051 807 V CB -0.348 31.608 31.823 0.221 0.000 0.658 807 V HN 0.116 nan 8.190 nan 0.000 0.455 808 E N -0.218 119.971 120.200 -0.018 0.000 2.152 808 E HA -0.137 4.221 4.350 0.012 0.000 0.192 808 E C 2.342 178.912 176.600 -0.049 0.000 0.983 808 E CA 0.892 57.282 56.400 -0.016 0.000 0.818 808 E CB -0.246 29.422 29.700 -0.054 0.000 0.758 808 E HN 0.619 nan 8.360 nan 0.000 0.467 809 R N -0.164 120.231 120.500 -0.174 0.000 2.075 809 R HA -0.093 4.254 4.340 0.012 0.000 0.232 809 R C 2.277 178.521 176.300 -0.094 0.000 1.126 809 R CA 1.169 57.148 56.100 -0.200 0.000 0.963 809 R CB -0.144 29.925 30.300 -0.385 0.000 0.858 809 R HN 0.226 nan 8.270 nan 0.000 0.435 810 W N 1.583 122.863 121.300 -0.034 0.000 2.355 810 W HA -0.092 4.576 4.660 0.013 0.000 0.309 810 W C 1.916 178.397 176.519 -0.064 0.000 1.206 810 W CA 0.789 57.998 57.345 -0.226 0.000 1.284 810 W CB -0.680 28.797 29.460 0.029 0.000 1.145 810 W HN 0.104 nan 8.180 nan 0.000 0.502 811 K N 0.168 120.793 120.400 0.375 0.000 2.009 811 K HA -0.134 4.194 4.320 0.012 0.000 0.210 811 K C 2.290 178.953 176.600 0.104 0.000 1.049 811 K CA 2.016 58.472 56.287 0.281 0.000 0.929 811 K CB -0.675 31.929 32.500 0.174 0.000 0.714 811 K HN -0.008 nan 8.250 nan 0.000 0.440 812 A N 1.185 124.037 122.820 0.053 0.000 1.972 812 A HA -0.087 4.241 4.320 0.012 0.000 0.219 812 A C 2.241 179.825 177.584 -0.000 0.000 1.169 812 A CA 1.771 53.822 52.037 0.023 0.000 0.635 812 A CB -0.592 18.411 19.000 0.004 0.000 0.810 812 A HN 0.352 nan 8.150 nan 0.000 0.446 813 A N -1.869 120.930 122.820 -0.035 0.000 2.206 813 A HA 0.381 4.708 4.320 0.012 0.000 0.211 813 A C 1.854 179.379 177.584 -0.100 0.000 1.158 813 A CA 1.311 53.339 52.037 -0.014 0.000 0.761 813 A CB -0.889 18.081 19.000 -0.050 0.000 0.801 813 A HN 1.898 nan 8.150 nan 0.000 0.473 814 G N -1.684 106.956 108.800 -0.266 0.000 2.141 814 G HA2 -0.299 3.668 3.960 0.012 0.000 0.242 814 G HA3 -0.299 3.668 3.960 0.012 0.000 0.242 814 G C 0.561 175.463 174.900 0.002 0.000 0.982 814 G CA 0.653 45.391 45.100 -0.603 0.000 0.662 814 G HN 0.755 nan 8.290 nan 0.000 0.527 815 H N -1.548 117.521 119.070 -0.003 0.000 2.387 815 H HA -0.080 4.483 4.556 0.012 0.000 0.299 815 H C 2.150 177.473 175.328 -0.008 0.000 1.099 815 H CA 1.533 57.602 56.048 0.034 0.000 1.315 815 H CB 0.099 29.818 29.762 -0.072 0.000 1.380 815 H HN 0.599 nan 8.280 nan 0.000 0.513 816 Y N 0.993 121.423 120.300 0.216 0.000 2.519 816 Y HA -0.084 4.474 4.550 0.012 0.000 0.287 816 Y C 2.162 178.149 175.900 0.145 0.000 1.128 816 Y CA 0.558 58.744 58.100 0.144 0.000 1.282 816 Y CB 0.440 38.967 38.460 0.112 0.000 1.027 816 Y HN 0.348 nan 8.280 nan 0.000 0.551 817 Q N -0.429 119.542 119.800 0.286 0.000 2.159 817 Q HA 0.391 4.739 4.340 0.012 0.000 0.217 817 Q C 0.279 176.470 176.000 0.317 0.000 0.818 817 Q CA -0.170 55.796 55.803 0.271 0.000 1.008 817 Q CB 0.391 29.277 28.738 0.246 0.000 1.148 817 Q HN 0.159 nan 8.270 nan 0.000 0.491 818 A N 1.940 124.973 122.820 0.354 0.000 2.462 818 A HA 0.187 4.515 4.320 0.012 0.000 0.243 818 A C -0.085 177.792 177.584 0.488 0.000 1.076 818 A CA -0.015 52.289 52.037 0.444 0.000 0.773 818 A CB 0.284 19.584 19.000 0.500 0.000 1.010 818 A HN 0.348 nan 8.150 nan 0.000 0.493 819 E N 1.144 121.542 120.200 0.331 0.000 2.183 819 E HA 0.496 4.853 4.350 0.012 0.000 0.271 819 E C -0.415 176.119 176.600 -0.111 0.000 0.919 819 E CA -0.701 55.811 56.400 0.187 0.000 0.781 819 E CB 1.879 31.654 29.700 0.126 0.000 1.140 819 E HN 0.715 nan 8.360 nan 0.000 0.402 820 A N 2.074 124.728 122.820 -0.277 0.000 2.451 820 A HA 0.454 4.782 4.320 0.012 0.000 0.266 820 A C -0.015 177.418 177.584 -0.251 0.000 1.119 820 A CA -0.130 51.483 52.037 -0.707 0.000 0.786 820 A CB 0.115 18.789 19.000 -0.543 0.000 1.061 820 A HN 0.612 nan 8.150 nan 0.000 0.503 821 A N 2.916 125.591 122.820 -0.242 0.000 2.288 821 A HA 0.586 4.913 4.320 0.012 0.000 0.320 821 A C -0.355 177.176 177.584 -0.089 0.000 1.217 821 A CA -0.560 51.419 52.037 -0.097 0.000 0.840 821 A CB 0.458 19.414 19.000 -0.073 0.000 1.179 821 A HN 1.118 nan 8.150 nan 0.000 0.504 822 L N 3.021 124.186 121.223 -0.097 0.000 2.360 822 L HA 0.336 4.684 4.340 0.012 0.000 0.276 822 L C 0.486 177.240 176.870 -0.194 0.000 1.121 822 L CA 0.303 54.990 54.840 -0.254 0.000 0.845 822 L CB 0.407 42.331 42.059 -0.226 0.000 1.143 822 L HN 0.773 nan 8.230 nan 0.000 0.452 823 L N 3.252 124.338 121.223 -0.229 0.000 2.537 823 L HA 0.340 4.687 4.340 0.012 0.000 0.224 823 L C 0.369 177.172 176.870 -0.112 0.000 1.065 823 L CA 0.014 54.782 54.840 -0.121 0.000 0.860 823 L CB 0.105 42.123 42.059 -0.067 0.000 1.086 823 L HN 0.712 nan 8.230 nan 0.000 0.482 824 Q N -0.282 119.422 119.800 -0.159 0.000 2.438 824 Q HA 0.347 4.694 4.340 0.012 0.000 0.272 824 Q C -2.078 173.865 176.000 -0.095 0.000 0.994 824 Q CA -0.544 55.204 55.803 -0.091 0.000 0.887 824 Q CB 3.018 31.724 28.738 -0.052 0.000 1.432 824 Q HN 0.057 nan 8.270 nan 0.000 0.392 825 C N 3.115 122.403 119.300 -0.019 0.000 2.833 825 C HA 0.793 5.260 4.460 0.012 0.000 0.383 825 C C -0.937 174.156 174.990 0.171 0.000 1.058 825 C CA 0.494 59.543 59.018 0.052 0.000 1.259 825 C CB 0.565 28.327 27.740 0.037 0.000 1.726 825 C HN 0.848 nan 8.230 nan 0.000 0.484 826 T N 2.479 117.086 114.554 0.087 0.000 2.901 826 T HA 0.920 5.278 4.350 0.012 0.000 0.293 826 T C -0.536 173.949 174.700 -0.359 0.000 1.084 826 T CA -0.271 61.826 62.100 -0.005 0.000 1.008 826 T CB 1.934 70.776 68.868 -0.044 0.000 1.170 826 T HN 1.814 nan 8.240 nan 0.000 0.509 827 A N 1.184 123.599 122.820 -0.676 0.000 2.393 827 A HA 0.756 5.084 4.320 0.012 0.000 0.306 827 A C -1.281 176.023 177.584 -0.467 0.000 1.050 827 A CA -0.734 50.785 52.037 -0.864 0.000 0.724 827 A CB 1.314 19.277 19.000 -1.727 0.000 1.248 827 A HN 0.875 nan 8.150 nan 0.000 0.424 828 D N 0.801 121.005 120.400 -0.327 0.000 2.732 828 D HA 0.469 5.116 4.640 0.012 0.000 0.229 828 D C -0.998 175.196 176.300 -0.176 0.000 1.152 828 D CA -0.067 53.810 54.000 -0.205 0.000 0.854 828 D CB 2.435 43.148 40.800 -0.145 0.000 1.590 828 D HN 0.393 nan 8.370 nan 0.000 0.468 829 T N 1.859 116.332 114.554 -0.135 0.000 2.749 829 T HA 0.438 4.796 4.350 0.012 0.000 0.287 829 T C 0.555 175.204 174.700 -0.085 0.000 0.970 829 T CA -0.378 61.655 62.100 -0.111 0.000 0.980 829 T CB 0.650 69.456 68.868 -0.103 0.000 0.924 829 T HN 0.100 nan 8.240 nan 0.000 0.456 830 L N 1.646 122.823 121.223 -0.076 0.000 2.492 830 L HA 0.599 4.946 4.340 0.012 0.000 0.263 830 L C 2.065 178.908 176.870 -0.045 0.000 1.062 830 L CA -1.125 53.681 54.840 -0.058 0.000 0.817 830 L CB 0.136 42.163 42.059 -0.055 0.000 1.441 830 L HN 0.664 nan 8.230 nan 0.000 0.493 831 A N 0.557 123.356 122.820 -0.035 0.000 1.865 831 A HA -0.174 4.153 4.320 0.012 0.000 0.217 831 A C 1.063 178.634 177.584 -0.022 0.000 1.191 831 A CA 2.162 54.183 52.037 -0.027 0.000 0.623 831 A CB -0.489 18.497 19.000 -0.022 0.000 0.826 831 A HN 0.900 nan 8.150 nan 0.000 0.444 832 D N -2.524 117.861 120.400 -0.024 0.000 2.673 832 D HA 0.564 5.211 4.640 0.012 0.000 0.278 832 D C -0.136 176.150 176.300 -0.024 0.000 1.393 832 D CA 0.647 54.636 54.000 -0.018 0.000 0.805 832 D CB -0.216 40.572 40.800 -0.021 0.000 1.110 832 D HN 0.526 nan 8.370 nan 0.000 0.476 833 A N -0.594 122.204 122.820 -0.038 0.000 2.586 833 A HA 0.614 4.942 4.320 0.012 0.000 0.290 833 A C -1.759 175.775 177.584 -0.082 0.000 1.086 833 A CA -0.697 51.303 52.037 -0.061 0.000 0.665 833 A CB 1.579 20.541 19.000 -0.063 0.000 1.279 833 A HN 0.012 nan 8.150 nan 0.000 0.423 834 V N 0.719 120.563 119.914 -0.117 0.000 2.555 834 V HA 0.640 4.768 4.120 0.012 0.000 0.302 834 V C -0.867 175.123 176.094 -0.173 0.000 1.038 834 V CA -0.457 61.755 62.300 -0.146 0.000 0.887 834 V CB 1.425 33.159 31.823 -0.149 0.000 0.991 834 V HN 0.889 nan 8.190 nan 0.000 0.434 835 L N 6.326 127.438 121.223 -0.185 0.000 2.333 835 L HA 0.661 5.008 4.340 0.012 0.000 0.280 835 L C -0.878 175.843 176.870 -0.248 0.000 1.004 835 L CA 0.049 54.787 54.840 -0.169 0.000 0.820 835 L CB 1.270 43.258 42.059 -0.119 0.000 1.247 835 L HN 0.412 nan 8.230 nan 0.000 0.416 836 I N 4.008 124.427 120.570 -0.253 0.000 2.404 836 I HA 0.442 4.619 4.170 0.012 0.000 0.293 836 I C -0.181 175.886 176.117 -0.083 0.000 0.992 836 I CA -0.280 60.811 61.300 -0.348 0.000 1.149 836 I CB 1.735 39.261 38.000 -0.790 0.000 1.315 836 I HN 0.578 nan 8.210 nan 0.000 0.446 837 T N 4.521 119.035 114.554 -0.068 0.000 2.807 837 T HA 0.640 4.998 4.350 0.012 0.000 0.279 837 T C 0.138 174.870 174.700 0.054 0.000 0.993 837 T CA -0.546 61.566 62.100 0.021 0.000 0.970 837 T CB 1.845 70.702 68.868 -0.018 0.000 0.950 837 T HN 0.786 nan 8.240 nan 0.000 0.441 838 T N -0.556 114.069 114.554 0.119 0.000 2.901 838 T HA 0.884 5.241 4.350 0.012 0.000 0.293 838 T C -1.187 173.546 174.700 0.056 0.000 1.084 838 T CA -1.068 61.073 62.100 0.069 0.000 1.008 838 T CB 2.026 70.995 68.868 0.167 0.000 1.170 838 T HN 0.802 nan 8.240 nan 0.000 0.509 839 A N 1.285 124.060 122.820 -0.075 0.000 2.459 839 A HA 0.773 5.100 4.320 0.012 0.000 0.296 839 A C -1.447 176.026 177.584 -0.186 0.000 1.039 839 A CA -0.763 51.273 52.037 -0.002 0.000 0.698 839 A CB 0.931 19.941 19.000 0.017 0.000 1.261 839 A HN 1.016 nan 8.150 nan 0.000 0.405 840 H N -0.072 119.051 119.070 0.089 0.000 2.895 840 H HA 0.771 5.335 4.556 0.012 0.000 0.373 840 H C -0.067 175.270 175.328 0.015 0.000 1.174 840 H CA 0.253 56.267 56.048 -0.056 0.000 1.144 840 H CB 2.170 31.816 29.762 -0.193 0.000 1.793 840 H HN 1.005 nan 8.280 nan 0.000 0.551 841 A N 1.752 124.576 122.820 0.007 0.000 2.342 841 A HA 0.433 4.760 4.320 0.012 0.000 0.323 841 A C -1.331 176.219 177.584 -0.056 0.000 1.125 841 A CA -0.687 51.409 52.037 0.097 0.000 0.785 841 A CB 1.083 20.123 19.000 0.067 0.000 1.221 841 A HN 0.579 nan 8.150 nan 0.000 0.463 842 W N 1.973 123.380 121.300 0.179 0.000 2.376 842 W HA 0.437 5.104 4.660 0.013 0.000 0.312 842 W C -0.397 176.153 176.519 0.052 0.000 1.060 842 W CA -0.106 57.344 57.345 0.175 0.000 1.221 842 W CB 1.683 31.316 29.460 0.288 0.000 1.281 842 W HN 0.786 nan 8.180 nan 0.000 0.456 843 Q N 1.431 121.354 119.800 0.205 0.000 2.458 843 Q HA 0.434 4.782 4.340 0.012 0.000 0.282 843 Q C -0.927 175.210 176.000 0.227 0.000 1.106 843 Q CA -0.897 54.995 55.803 0.148 0.000 0.814 843 Q CB 3.577 32.361 28.738 0.076 0.000 1.425 843 Q HN 0.380 nan 8.270 nan 0.000 0.437 844 H N 1.359 120.470 119.070 0.067 0.000 3.096 844 H HA 0.088 4.652 4.556 0.012 0.000 0.335 844 H C -0.861 174.502 175.328 0.060 0.000 0.990 844 H CA -0.078 56.020 56.048 0.083 0.000 1.393 844 H CB 0.987 30.811 29.762 0.104 0.000 1.742 844 H HN 0.826 nan 8.280 nan 0.000 0.501 845 Q N 3.242 122.786 119.800 -0.427 0.000 2.453 845 Q HA -0.242 4.106 4.340 0.012 0.000 0.294 845 Q C 0.892 176.828 176.000 -0.106 0.000 1.295 845 Q CA 1.110 56.729 55.803 -0.307 0.000 0.853 845 Q CB -1.431 27.064 28.738 -0.405 0.000 1.193 845 Q HN 1.183 nan 8.270 nan 0.000 0.461 846 G N -0.399 108.370 108.800 -0.051 0.000 2.217 846 G HA2 -0.345 3.622 3.960 0.012 0.000 0.246 846 G HA3 -0.345 3.622 3.960 0.012 0.000 0.246 846 G C 0.027 174.933 174.900 0.011 0.000 0.990 846 G CA 0.525 45.618 45.100 -0.012 0.000 0.627 846 G HN 0.320 nan 8.290 nan 0.000 0.522 847 K N 1.623 122.040 120.400 0.029 0.000 2.183 847 K HA 0.657 4.985 4.320 0.012 0.000 0.274 847 K C -0.031 176.587 176.600 0.029 0.000 1.009 847 K CA -0.159 56.149 56.287 0.035 0.000 0.888 847 K CB 0.978 33.514 32.500 0.061 0.000 1.078 847 K HN -0.007 nan 8.250 nan 0.000 0.459 848 T N 6.166 120.726 114.554 0.010 0.000 2.729 848 T HA 0.237 4.594 4.350 0.012 0.000 0.296 848 T C 1.023 175.671 174.700 -0.087 0.000 0.928 848 T CA -0.370 61.730 62.100 0.002 0.000 1.045 848 T CB 0.333 69.217 68.868 0.028 0.000 0.902 848 T HN 0.551 nan 8.240 nan 0.000 0.500 849 L N 2.625 123.713 121.223 -0.226 0.000 2.168 849 L HA 0.369 4.716 4.340 0.012 0.000 0.203 849 L C -0.126 176.252 176.870 -0.821 0.000 1.078 849 L CA 0.793 55.225 54.840 -0.680 0.000 0.780 849 L CB 0.102 41.369 42.059 -1.319 0.000 0.939 849 L HN 0.525 nan 8.230 nan 0.000 0.451 850 F N -1.150 118.763 119.950 -0.061 0.000 2.631 850 F HA 0.549 5.083 4.527 0.012 0.000 0.308 850 F C -0.562 175.327 175.800 0.148 0.000 1.097 850 F CA -0.812 57.086 58.000 -0.170 0.000 0.952 850 F CB 1.958 40.453 39.000 -0.843 0.000 1.307 850 F HN -0.338 nan 8.300 nan 0.000 0.450 851 I N 1.531 122.311 120.570 0.350 0.000 2.498 851 I HA 0.382 4.560 4.170 0.012 0.000 0.290 851 I C -0.760 175.618 176.117 0.436 0.000 1.032 851 I CA -0.602 60.934 61.300 0.394 0.000 1.073 851 I CB 2.200 40.346 38.000 0.242 0.000 1.251 851 I HN 0.535 nan 8.210 nan 0.000 0.426 852 S N 6.815 122.873 115.700 0.598 0.000 2.530 852 S HA 0.567 5.044 4.470 0.012 0.000 0.322 852 S C -0.641 174.197 174.600 0.396 0.000 1.085 852 S CA -0.670 57.855 58.200 0.541 0.000 1.096 852 S CB 0.560 64.199 63.200 0.732 0.000 0.988 852 S HN 0.553 nan 8.310 nan 0.000 0.466 853 R N 3.568 124.223 120.500 0.258 0.000 2.437 853 R HA 0.592 4.939 4.340 0.012 0.000 0.310 853 R C -0.638 175.732 176.300 0.117 0.000 0.955 853 R CA -0.773 55.433 56.100 0.178 0.000 0.851 853 R CB 1.839 32.217 30.300 0.129 0.000 1.161 853 R HN 0.557 nan 8.270 nan 0.000 0.446 854 K N 0.594 121.055 120.400 0.101 0.000 2.495 854 K HA 0.483 4.811 4.320 0.012 0.000 0.268 854 K C -0.853 175.723 176.600 -0.040 0.000 1.008 854 K CA -0.900 55.373 56.287 -0.025 0.000 0.882 854 K CB 2.559 35.022 32.500 -0.061 0.000 1.443 854 K HN 0.648 nan 8.250 nan 0.000 0.447 855 T N -1.532 112.929 114.554 -0.156 0.000 2.900 855 T HA 0.578 4.935 4.350 0.012 0.000 0.295 855 T C -1.300 173.275 174.700 -0.208 0.000 1.044 855 T CA -0.753 61.301 62.100 -0.076 0.000 0.995 855 T CB 0.632 69.480 68.868 -0.033 0.000 1.072 855 T HN 0.385 nan 8.240 nan 0.000 0.473 856 Y N 0.568 120.844 120.300 -0.040 0.000 2.331 856 Y HA 0.622 5.180 4.550 0.012 0.000 0.334 856 Y C 0.423 176.264 175.900 -0.098 0.000 0.960 856 Y CA -1.066 57.028 58.100 -0.010 0.000 1.130 856 Y CB 1.930 40.419 38.460 0.048 0.000 1.164 856 Y HN 0.666 nan 8.280 nan 0.000 0.458 857 R N 4.652 125.185 120.500 0.054 0.000 2.337 857 R HA 0.609 4.957 4.340 0.012 0.000 0.319 857 R C -1.563 174.686 176.300 -0.086 0.000 0.954 857 R CA -0.352 55.727 56.100 -0.034 0.000 0.840 857 R CB 0.555 30.842 30.300 -0.022 0.000 1.164 857 R HN 0.774 nan 8.270 nan 0.000 0.472 858 I N 5.222 125.679 120.570 -0.188 0.000 2.312 858 I HA 0.180 4.358 4.170 0.012 0.000 0.290 858 I C -0.168 175.821 176.117 -0.213 0.000 1.008 858 I CA -0.736 60.365 61.300 -0.332 0.000 1.226 858 I CB 1.360 38.954 38.000 -0.677 0.000 1.371 858 I HN 0.699 nan 8.210 nan 0.000 0.468 859 D N 4.388 124.710 120.400 -0.131 0.000 2.494 859 D HA 0.233 4.881 4.640 0.012 0.000 0.259 859 D C 1.234 177.523 176.300 -0.018 0.000 1.109 859 D CA -0.728 53.237 54.000 -0.058 0.000 1.040 859 D CB 0.988 41.774 40.800 -0.024 0.000 1.175 859 D HN 0.480 nan 8.370 nan 0.000 0.584 860 G N -1.369 107.434 108.800 0.005 0.000 2.586 860 G HA2 -0.143 3.824 3.960 0.012 0.000 0.215 860 G HA3 -0.143 3.824 3.960 0.012 0.000 0.215 860 G C 1.074 176.014 174.900 0.066 0.000 1.128 860 G CA 0.957 46.080 45.100 0.037 0.000 0.774 860 G HN 0.535 nan 8.290 nan 0.000 0.543 861 S N -1.320 114.418 115.700 0.062 0.000 2.575 861 S HA 0.390 4.868 4.470 0.012 0.000 0.215 861 S C 1.780 176.457 174.600 0.128 0.000 0.966 861 S CA 0.872 59.127 58.200 0.092 0.000 0.911 861 S CB 0.180 63.426 63.200 0.077 0.000 0.780 861 S HN 1.369 nan 8.310 nan 0.000 0.514 862 G N 0.637 109.525 108.800 0.147 0.000 2.175 862 G HA2 -0.211 3.757 3.960 0.012 0.000 0.244 862 G HA3 -0.211 3.757 3.960 0.012 0.000 0.244 862 G C -0.161 174.898 174.900 0.265 0.000 0.982 862 G CA -0.042 45.221 45.100 0.272 0.000 0.641 862 G HN 0.584 nan 8.290 nan 0.000 0.527 863 Q N -0.328 119.560 119.800 0.147 0.000 2.227 863 Q HA 0.652 4.999 4.340 0.012 0.000 0.245 863 Q C 0.094 176.140 176.000 0.077 0.000 0.926 863 Q CA -0.293 55.602 55.803 0.154 0.000 0.895 863 Q CB 1.656 30.466 28.738 0.121 0.000 1.230 863 Q HN 0.445 nan 8.270 nan 0.000 0.450 864 M N 1.537 121.227 119.600 0.149 0.000 2.085 864 M HA 0.497 4.984 4.480 0.012 0.000 0.309 864 M C -1.525 174.883 176.300 0.180 0.000 0.947 864 M CA -0.489 54.864 55.300 0.088 0.000 0.918 864 M CB 1.248 33.920 32.600 0.120 0.000 1.504 864 M HN 0.698 nan 8.290 nan 0.000 0.420 865 A N 6.703 129.592 122.820 0.114 0.000 2.276 865 A HA 0.679 5.007 4.320 0.012 0.000 0.300 865 A C -0.777 176.853 177.584 0.076 0.000 1.235 865 A CA -0.561 51.543 52.037 0.111 0.000 0.867 865 A CB 0.107 19.148 19.000 0.069 0.000 1.137 865 A HN 0.922 nan 8.150 nan 0.000 0.527 866 I N 2.316 122.922 120.570 0.059 0.000 2.378 866 I HA 0.311 4.488 4.170 0.012 0.000 0.291 866 I C -0.074 175.945 176.117 -0.162 0.000 0.992 866 I CA -0.161 61.073 61.300 -0.110 0.000 1.154 866 I CB 2.142 40.099 38.000 -0.072 0.000 1.315 866 I HN 0.500 nan 8.210 nan 0.000 0.448 867 T N 5.838 120.258 114.554 -0.224 0.000 2.779 867 T HA 0.542 4.900 4.350 0.012 0.000 0.280 867 T C -0.316 174.189 174.700 -0.323 0.000 0.987 867 T CA -0.445 61.524 62.100 -0.219 0.000 0.966 867 T CB 1.646 70.476 68.868 -0.062 0.000 0.933 867 T HN 0.197 nan 8.240 nan 0.000 0.442 868 V N 3.805 123.399 119.914 -0.532 0.000 2.540 868 V HA 0.487 4.614 4.120 0.012 0.000 0.302 868 V C -0.681 175.239 176.094 -0.289 0.000 1.035 868 V CA -0.914 61.103 62.300 -0.472 0.000 0.873 868 V CB 2.062 33.341 31.823 -0.907 0.000 0.992 868 V HN 0.846 nan 8.190 nan 0.000 0.428 869 D N 3.341 123.735 120.400 -0.010 0.000 2.549 869 D HA 0.515 5.162 4.640 0.012 0.000 0.251 869 D C -1.040 175.378 176.300 0.196 0.000 1.153 869 D CA -0.101 53.987 54.000 0.147 0.000 0.861 869 D CB 2.728 43.638 40.800 0.184 0.000 1.207 869 D HN 0.250 nan 8.370 nan 0.000 0.543 870 V N 2.357 122.424 119.914 0.255 0.000 2.628 870 V HA 0.296 4.423 4.120 0.012 0.000 0.306 870 V C 0.054 176.291 176.094 0.239 0.000 1.045 870 V CA -0.720 61.749 62.300 0.281 0.000 0.905 870 V CB 2.444 34.477 31.823 0.350 0.000 0.997 870 V HN 0.359 nan 8.190 nan 0.000 0.436 871 E N 2.567 122.894 120.200 0.211 0.000 2.183 871 E HA 0.626 4.984 4.350 0.012 0.000 0.271 871 E C -1.496 175.215 176.600 0.186 0.000 0.919 871 E CA -0.615 55.887 56.400 0.170 0.000 0.781 871 E CB 2.575 32.356 29.700 0.135 0.000 1.140 871 E HN 0.388 nan 8.360 nan 0.000 0.402 872 V N 2.181 122.209 119.914 0.189 0.000 2.444 872 V HA 0.355 4.482 4.120 0.012 0.000 0.294 872 V C 0.084 176.264 176.094 0.144 0.000 1.022 872 V CA -0.916 61.517 62.300 0.222 0.000 0.850 872 V CB 1.480 33.475 31.823 0.287 0.000 0.992 872 V HN 0.849 nan 8.190 nan 0.000 0.426 873 A N 3.605 126.463 122.820 0.064 0.000 2.567 873 A HA 0.233 4.561 4.320 0.012 0.000 0.240 873 A C 1.612 179.263 177.584 0.111 0.000 1.053 873 A CA 0.678 52.747 52.037 0.053 0.000 0.755 873 A CB 0.213 19.210 19.000 -0.006 0.000 0.978 873 A HN 1.362 nan 8.150 nan 0.000 0.507 874 S N 1.209 116.974 115.700 0.108 0.000 2.447 874 S HA -0.143 4.334 4.470 0.012 0.000 0.233 874 S C 0.916 175.601 174.600 0.142 0.000 1.006 874 S CA 1.218 59.505 58.200 0.144 0.000 0.957 874 S CB -0.250 63.013 63.200 0.106 0.000 0.773 874 S HN 0.833 nan 8.310 nan 0.000 0.507 875 D N 0.417 120.873 120.400 0.093 0.000 2.339 875 D HA 0.122 4.770 4.640 0.012 0.000 0.217 875 D C 0.549 176.889 176.300 0.066 0.000 1.050 875 D CA 0.060 54.100 54.000 0.066 0.000 0.856 875 D CB -0.387 40.438 40.800 0.042 0.000 0.922 875 D HN 0.313 nan 8.370 nan 0.000 0.518 876 T N 1.190 115.808 114.554 0.107 0.000 2.928 876 T HA 0.410 4.767 4.350 0.012 0.000 0.284 876 T C -2.604 172.212 174.700 0.193 0.000 1.008 876 T CA -1.958 60.230 62.100 0.147 0.000 1.057 876 T CB 1.241 70.207 68.868 0.163 0.000 1.018 876 T HN -0.155 nan 8.240 nan 0.000 0.493 877 P HA 0.122 nan 4.420 nan 0.000 0.268 877 P C -0.617 177.002 177.300 0.532 0.000 1.205 877 P CA 0.018 63.234 63.100 0.194 0.000 0.771 877 P CB -0.030 31.776 31.700 0.178 0.000 0.858 878 H N 3.318 122.770 119.070 0.636 0.000 3.034 878 H HA 0.064 4.628 4.556 0.012 0.000 0.324 878 H C -1.581 174.089 175.328 0.570 0.000 1.015 878 H CA -1.199 55.152 56.048 0.505 0.000 1.429 878 H CB -0.425 29.574 29.762 0.394 0.000 1.429 878 H HN 0.383 nan 8.280 nan 0.000 0.585 879 P HA 0.051 nan 4.420 nan 0.000 0.278 879 P C 0.082 177.279 177.300 -0.171 0.000 1.258 879 P CA -0.394 62.784 63.100 0.130 0.000 0.811 879 P CB 1.169 32.794 31.700 -0.124 0.000 1.063 880 A N 2.469 124.904 122.820 -0.642 0.000 1.969 880 A HA -0.082 4.246 4.320 0.012 0.000 0.218 880 A C 1.056 178.252 177.584 -0.647 0.000 1.169 880 A CA 1.320 52.950 52.037 -0.678 0.000 0.635 880 A CB -0.528 17.851 19.000 -1.036 0.000 0.810 880 A HN 0.739 nan 8.150 nan 0.000 0.445 881 R N -2.945 117.212 120.500 -0.571 0.000 2.733 881 R HA 0.765 5.112 4.340 0.012 0.000 0.272 881 R C -1.630 174.431 176.300 -0.398 0.000 1.029 881 R CA -0.811 54.975 56.100 -0.522 0.000 0.888 881 R CB 0.932 30.904 30.300 -0.546 0.000 1.251 881 R HN -0.004 nan 8.270 nan 0.000 0.464 882 I N 0.839 121.208 120.570 -0.335 0.000 2.540 882 I HA 0.636 4.814 4.170 0.012 0.000 0.280 882 I C -0.584 175.309 176.117 -0.373 0.000 1.083 882 I CA -0.340 60.792 61.300 -0.281 0.000 1.080 882 I CB 1.960 39.863 38.000 -0.163 0.000 1.205 882 I HN 0.970 nan 8.210 nan 0.000 0.459 883 G N 5.872 114.386 108.800 -0.476 0.000 2.619 883 G HA2 0.718 4.685 3.960 0.012 0.000 0.305 883 G HA3 0.718 4.685 3.960 0.012 0.000 0.305 883 G C -1.805 172.925 174.900 -0.282 0.000 1.330 883 G CA -0.583 44.276 45.100 -0.402 0.000 0.789 883 G HN 0.279 nan 8.290 nan 0.000 0.487 884 L N 0.768 121.881 121.223 -0.183 0.000 2.323 884 L HA 0.669 5.017 4.340 0.012 0.000 0.265 884 L C -0.692 176.083 176.870 -0.158 0.000 1.012 884 L CA -1.156 53.610 54.840 -0.123 0.000 0.820 884 L CB 2.454 44.520 42.059 0.012 0.000 1.334 884 L HN 0.798 nan 8.230 nan 0.000 0.427 885 N N 0.652 119.286 118.700 -0.110 0.000 2.591 885 N HA 0.650 5.398 4.740 0.012 0.000 0.263 885 N C -1.340 174.177 175.510 0.012 0.000 1.308 885 N CA -0.525 52.493 53.050 -0.053 0.000 0.837 885 N CB 2.368 40.835 38.487 -0.034 0.000 1.548 885 N HN 0.829 nan 8.380 nan 0.000 0.493 886 C N -0.738 118.580 119.300 0.031 0.000 3.307 886 C HA 0.583 5.050 4.460 0.012 0.000 0.333 886 C C -1.055 173.739 174.990 -0.326 0.000 1.291 886 C CA -0.830 58.147 59.018 -0.067 0.000 1.273 886 C CB 1.044 28.779 27.740 -0.009 0.000 1.580 886 C HN 0.844 nan 8.230 nan 0.000 0.481 887 Q N 1.537 120.912 119.800 -0.709 0.000 2.368 887 Q HA 0.644 4.992 4.340 0.012 0.000 0.256 887 Q C -1.002 174.697 176.000 -0.501 0.000 0.980 887 Q CA -0.416 54.727 55.803 -1.100 0.000 0.887 887 Q CB 0.848 28.558 28.738 -1.714 0.000 1.221 887 Q HN 0.782 nan 8.270 nan 0.000 0.458 888 L N 2.567 123.603 121.223 -0.313 0.000 2.417 888 L HA 0.265 4.613 4.340 0.012 0.000 0.268 888 L C 1.184 177.988 176.870 -0.109 0.000 1.158 888 L CA -0.187 54.592 54.840 -0.101 0.000 0.819 888 L CB 0.866 42.968 42.059 0.072 0.000 1.112 888 L HN 0.824 nan 8.230 nan 0.000 0.458 889 A N 1.995 124.777 122.820 -0.062 0.000 2.014 889 A HA -0.103 4.224 4.320 0.012 0.000 0.218 889 A C 1.032 178.599 177.584 -0.028 0.000 1.163 889 A CA 0.653 52.646 52.037 -0.073 0.000 0.652 889 A CB -0.249 18.698 19.000 -0.087 0.000 0.808 889 A HN 0.794 nan 8.150 nan 0.000 0.449 890 Q N -0.243 119.574 119.800 0.029 0.000 2.259 890 Q HA 0.492 4.840 4.340 0.012 0.000 0.246 890 Q C -1.271 174.762 176.000 0.055 0.000 0.920 890 Q CA -0.200 55.612 55.803 0.015 0.000 0.895 890 Q CB 1.280 30.031 28.738 0.022 0.000 1.220 890 Q HN 0.090 nan 8.270 nan 0.000 0.439 891 V N 3.114 123.026 119.914 -0.004 0.000 2.407 891 V HA 0.791 4.918 4.120 0.012 0.000 0.291 891 V C -0.571 175.482 176.094 -0.069 0.000 1.018 891 V CA -0.335 61.992 62.300 0.044 0.000 0.842 891 V CB 0.891 32.729 31.823 0.024 0.000 0.996 891 V HN 0.905 nan 8.190 nan 0.000 0.426 892 A N 3.281 126.007 122.820 -0.156 0.000 2.354 892 A HA 0.720 5.047 4.320 0.012 0.000 0.321 892 A C 0.676 178.256 177.584 -0.008 0.000 1.125 892 A CA -0.521 51.364 52.037 -0.254 0.000 0.799 892 A CB 1.218 19.810 19.000 -0.679 0.000 1.293 892 A HN 0.805 nan 8.150 nan 0.000 0.452 893 E N 0.129 120.323 120.200 -0.010 0.000 2.152 893 E HA -0.055 4.303 4.350 0.012 0.000 0.192 893 E C 0.154 176.822 176.600 0.114 0.000 0.983 893 E CA 0.726 57.157 56.400 0.052 0.000 0.818 893 E CB 0.090 29.804 29.700 0.023 0.000 0.758 893 E HN 0.426 nan 8.360 nan 0.000 0.467 894 R N 0.334 120.910 120.500 0.127 0.000 2.892 894 R HA 0.547 4.895 4.340 0.012 0.000 0.265 894 R C -0.687 175.798 176.300 0.309 0.000 1.025 894 R CA -0.888 55.322 56.100 0.183 0.000 0.982 894 R CB 1.730 32.108 30.300 0.130 0.000 1.185 894 R HN -0.167 nan 8.270 nan 0.000 0.484 895 V N 1.838 121.944 119.914 0.320 0.000 2.531 895 V HA 0.366 4.493 4.120 0.012 0.000 0.301 895 V C -0.391 175.974 176.094 0.453 0.000 1.034 895 V CA -0.921 61.603 62.300 0.374 0.000 0.865 895 V CB 1.916 33.896 31.823 0.261 0.000 0.995 895 V HN 0.662 nan 8.190 nan 0.000 0.424 896 N N 4.592 123.537 118.700 0.408 0.000 2.346 896 N HA 0.528 5.275 4.740 0.012 0.000 0.289 896 N C -1.372 174.398 175.510 0.434 0.000 1.027 896 N CA -0.443 52.820 53.050 0.355 0.000 0.864 896 N CB 2.621 41.208 38.487 0.166 0.000 1.370 896 N HN 0.809 nan 8.380 nan 0.000 0.481 897 W N 3.141 124.469 121.300 0.047 0.000 3.118 897 W HA 0.600 5.268 4.660 0.012 0.000 0.328 897 W C -1.956 174.514 176.519 -0.081 0.000 1.239 897 W CA -1.151 56.193 57.345 -0.002 0.000 1.176 897 W CB 0.769 30.248 29.460 0.031 0.000 1.433 897 W HN 0.223 nan 8.180 nan 0.000 0.562 898 L N 4.018 125.209 121.223 -0.053 0.000 2.277 898 L HA 0.912 5.259 4.340 0.012 0.000 0.284 898 L C 0.001 176.645 176.870 -0.376 0.000 1.028 898 L CA 0.305 54.917 54.840 -0.381 0.000 0.835 898 L CB 0.583 42.520 42.059 -0.202 0.000 1.215 898 L HN 0.993 nan 8.230 nan 0.000 0.425 899 G N 3.713 112.131 108.800 -0.636 0.000 2.323 899 G HA2 0.193 4.160 3.960 0.012 0.000 0.291 899 G HA3 0.193 4.160 3.960 0.012 0.000 0.291 899 G C -1.594 173.286 174.900 -0.033 0.000 1.278 899 G CA -1.093 43.850 45.100 -0.263 0.000 0.860 899 G HN 0.453 nan 8.290 nan 0.000 0.504 900 L N 1.008 122.360 121.223 0.215 0.000 2.455 900 L HA 0.552 4.900 4.340 0.012 0.000 0.272 900 L C 1.133 178.100 176.870 0.161 0.000 1.174 900 L CA 0.943 55.892 54.840 0.182 0.000 0.869 900 L CB 0.389 42.510 42.059 0.105 0.000 1.130 900 L HN 1.185 nan 8.230 nan 0.000 0.474 901 G N 3.036 111.712 108.800 -0.206 0.000 2.427 901 G HA2 0.278 4.245 3.960 0.012 0.000 0.306 901 G HA3 0.278 4.245 3.960 0.012 0.000 0.306 901 G C -2.763 171.295 174.900 -1.404 0.000 1.280 901 G CA -0.280 44.352 45.100 -0.780 0.000 0.837 901 G HN 0.317 nan 8.290 nan 0.000 0.482 902 P HA 0.104 nan 4.420 nan 0.000 0.239 902 P C 0.415 177.522 177.300 -0.321 0.000 1.188 902 P CA 0.506 62.948 63.100 -1.097 0.000 0.794 902 P CB 0.562 31.731 31.700 -0.886 0.000 0.937 903 Q N 0.539 120.141 119.800 -0.330 0.000 2.318 903 Q HA 0.155 4.502 4.340 0.012 0.000 0.222 903 Q C 0.375 176.259 176.000 -0.194 0.000 1.003 903 Q CA -0.599 55.083 55.803 -0.201 0.000 0.936 903 Q CB 0.726 29.363 28.738 -0.169 0.000 1.204 903 Q HN 0.124 nan 8.270 nan 0.000 0.524 904 E N 1.291 121.381 120.200 -0.184 0.000 2.502 904 E HA -0.107 4.250 4.350 0.012 0.000 0.261 904 E C -1.141 175.366 176.600 -0.155 0.000 0.974 904 E CA 0.281 56.557 56.400 -0.205 0.000 0.936 904 E CB 0.253 29.897 29.700 -0.093 0.000 0.926 904 E HN 0.593 nan 8.360 nan 0.000 0.459 905 N N 2.702 121.232 118.700 -0.284 0.000 2.308 905 N HA 0.311 5.058 4.740 0.012 0.000 0.283 905 N C -1.853 173.424 175.510 -0.389 0.000 1.105 905 N CA -0.680 52.258 53.050 -0.186 0.000 0.840 905 N CB 0.753 39.159 38.487 -0.136 0.000 1.633 905 N HN 0.236 nan 8.380 nan 0.000 0.476 906 Y N 0.296 120.506 120.300 -0.150 0.000 2.598 906 Y HA 0.497 5.054 4.550 0.012 0.000 0.340 906 Y C -1.620 174.203 175.900 -0.128 0.000 1.038 906 Y CA -2.079 55.919 58.100 -0.170 0.000 1.100 906 Y CB 1.994 40.353 38.460 -0.170 0.000 1.281 906 Y HN 0.449 nan 8.280 nan 0.000 0.488 907 P HA -0.186 nan 4.420 nan 0.000 0.216 907 P C 0.415 177.565 177.300 -0.250 0.000 1.150 907 P CA 2.155 65.281 63.100 0.043 0.000 0.843 907 P CB 0.208 32.051 31.700 0.237 0.000 0.787 908 D N -2.440 117.607 120.400 -0.588 0.000 2.349 908 D HA -0.008 4.639 4.640 0.012 0.000 0.214 908 D C 0.822 176.968 176.300 -0.257 0.000 1.063 908 D CA 0.197 53.647 54.000 -0.916 0.000 0.847 908 D CB -0.264 39.811 40.800 -1.209 0.000 0.933 908 D HN 0.123 nan 8.370 nan 0.000 0.513 909 R N 1.012 121.459 120.500 -0.088 0.000 2.638 909 R HA 0.202 4.550 4.340 0.012 0.000 0.261 909 R C -0.564 175.765 176.300 0.049 0.000 1.515 909 R CA -0.171 55.946 56.100 0.028 0.000 1.623 909 R CB 0.087 30.414 30.300 0.044 0.000 1.347 909 R HN 0.093 nan 8.270 nan 0.000 0.705 910 L N -1.753 119.505 121.223 0.058 0.000 3.298 910 L HA 0.340 4.688 4.340 0.012 0.000 0.296 910 L C 1.294 178.217 176.870 0.088 0.000 1.237 910 L CA 0.072 54.944 54.840 0.053 0.000 1.038 910 L CB 0.091 42.171 42.059 0.036 0.000 1.423 910 L HN 0.074 nan 8.230 nan 0.000 0.605 911 T N -2.693 111.941 114.554 0.134 0.000 2.867 911 T HA -0.003 4.354 4.350 0.012 0.000 0.268 911 T C 1.816 176.540 174.700 0.040 0.000 1.057 911 T CA 1.303 63.502 62.100 0.166 0.000 1.136 911 T CB -0.367 68.664 68.868 0.272 0.000 0.874 911 T HN 0.385 nan 8.240 nan 0.000 0.466 912 A N 1.765 124.616 122.820 0.052 0.000 2.066 912 A HA 0.604 4.932 4.320 0.012 0.000 0.218 912 A C 1.656 179.298 177.584 0.096 0.000 1.157 912 A CA 0.617 52.624 52.037 -0.051 0.000 0.670 912 A CB -1.012 18.112 19.000 0.206 0.000 0.804 912 A HN 0.848 nan 8.150 nan 0.000 0.453 913 A N -1.227 121.607 122.820 0.024 0.000 2.386 913 A HA 0.452 4.780 4.320 0.012 0.000 0.248 913 A C 0.040 177.632 177.584 0.014 0.000 1.082 913 A CA -0.034 51.980 52.037 -0.040 0.000 0.789 913 A CB -0.081 18.889 19.000 -0.050 0.000 1.025 913 A HN 0.485 nan 8.150 nan 0.000 0.490 914 C N 0.293 119.597 119.300 0.006 0.000 2.614 914 C HA 0.577 5.045 4.460 0.012 0.000 0.320 914 C C -0.206 174.864 174.990 0.132 0.000 1.200 914 C CA -0.509 58.561 59.018 0.086 0.000 1.700 914 C CB 1.005 28.821 27.740 0.127 0.000 2.275 914 C HN 0.796 nan 8.230 nan 0.000 0.492 915 F N 3.347 123.102 119.950 -0.325 0.000 2.420 915 F HA 0.519 5.053 4.527 0.012 0.000 0.352 915 F C 0.317 175.771 175.800 -0.577 0.000 1.108 915 F CA 1.096 58.782 58.000 -0.523 0.000 1.162 915 F CB 0.094 38.244 39.000 -1.417 0.000 1.118 915 F HN 0.630 nan 8.300 nan 0.000 0.510 916 D N 3.170 122.971 120.400 -0.999 0.000 2.879 916 D HA 0.169 4.817 4.640 0.012 0.000 0.346 916 D C -1.687 173.741 176.300 -1.453 0.000 1.390 916 D CA -0.705 52.609 54.000 -1.143 0.000 0.838 916 D CB 1.414 41.441 40.800 -1.289 0.000 1.416 916 D HN 0.498 nan 8.370 nan 0.000 0.493 917 R N 0.716 120.459 120.500 -1.262 0.000 2.207 917 R HA 0.526 4.873 4.340 0.012 0.000 0.334 917 R C -1.356 174.209 176.300 -1.226 0.000 1.013 917 R CA -0.207 55.293 56.100 -1.000 0.000 0.858 917 R CB 0.192 30.151 30.300 -0.568 0.000 1.094 917 R HN 0.278 nan 8.270 nan 0.000 0.457 918 W N 2.418 123.194 121.300 -0.874 0.000 2.647 918 W HA 0.452 5.119 4.660 0.012 0.000 0.353 918 W C -0.450 175.711 176.519 -0.597 0.000 1.080 918 W CA -0.635 56.153 57.345 -0.928 0.000 1.208 918 W CB 1.596 30.042 29.460 -1.689 0.000 1.396 918 W HN 0.383 nan 8.180 nan 0.000 0.573 919 D N 2.172 122.544 120.400 -0.047 0.000 2.613 919 D HA 0.379 5.026 4.640 0.012 0.000 0.230 919 D C -1.545 174.856 176.300 0.168 0.000 1.365 919 D CA -0.124 53.938 54.000 0.103 0.000 0.976 919 D CB 0.911 41.723 40.800 0.021 0.000 1.415 919 D HN 0.354 nan 8.370 nan 0.000 0.589 920 L N 2.934 124.328 121.223 0.285 0.000 2.327 920 L HA 0.594 4.942 4.340 0.012 0.000 0.258 920 L C -2.261 174.722 176.870 0.189 0.000 1.024 920 L CA -2.140 52.835 54.840 0.225 0.000 0.825 920 L CB 2.691 44.932 42.059 0.304 0.000 1.386 920 L HN 0.169 nan 8.230 nan 0.000 0.417 921 P HA 0.036 nan 4.420 nan 0.000 0.271 921 P C 0.561 177.933 177.300 0.120 0.000 1.218 921 P CA -0.378 62.789 63.100 0.111 0.000 0.780 921 P CB 1.019 32.764 31.700 0.075 0.000 0.901 922 L N 3.502 124.802 121.223 0.128 0.000 2.051 922 L HA -0.267 4.080 4.340 0.012 0.000 0.214 922 L C 2.305 179.216 176.870 0.068 0.000 1.076 922 L CA 2.847 57.753 54.840 0.110 0.000 0.758 922 L CB -1.535 40.606 42.059 0.137 0.000 0.890 922 L HN 0.472 nan 8.230 nan 0.000 0.433 923 S N -1.899 113.844 115.700 0.071 0.000 2.442 923 S HA -0.173 4.304 4.470 0.012 0.000 0.236 923 S C 1.585 176.242 174.600 0.096 0.000 1.007 923 S CA 1.139 59.395 58.200 0.092 0.000 0.965 923 S CB -0.766 62.484 63.200 0.083 0.000 0.773 923 S HN 0.544 nan 8.310 nan 0.000 0.504 924 D N 0.998 121.434 120.400 0.060 0.000 2.371 924 D HA 0.115 4.762 4.640 0.012 0.000 0.221 924 D C 1.131 177.423 176.300 -0.013 0.000 0.986 924 D CA 0.557 54.570 54.000 0.022 0.000 0.899 924 D CB -0.090 40.731 40.800 0.034 0.000 0.902 924 D HN 0.389 nan 8.370 nan 0.000 0.530 925 M N -0.422 119.179 119.600 0.002 0.000 2.494 925 M HA 0.074 4.561 4.480 0.012 0.000 0.232 925 M C -0.101 176.185 176.300 -0.024 0.000 1.137 925 M CA -0.096 55.156 55.300 -0.079 0.000 1.012 925 M CB -0.717 31.824 32.600 -0.098 0.000 1.567 925 M HN -0.052 nan 8.290 nan 0.000 0.486 926 Y N -0.065 120.182 120.300 -0.087 0.000 2.409 926 Y HA 0.528 5.085 4.550 0.013 0.000 0.343 926 Y C -0.786 175.058 175.900 -0.092 0.000 0.973 926 Y CA -0.976 57.095 58.100 -0.048 0.000 1.064 926 Y CB 1.312 39.806 38.460 0.056 0.000 1.207 926 Y HN -0.128 nan 8.280 nan 0.000 0.452 927 T N 8.857 122.963 114.554 -0.747 0.000 2.758 927 T HA 0.305 4.662 4.350 0.012 0.000 0.285 927 T C -2.714 171.238 174.700 -1.246 0.000 0.981 927 T CA -1.518 60.054 62.100 -0.880 0.000 0.965 927 T CB 1.184 69.598 68.868 -0.757 0.000 0.927 927 T HN 0.462 nan 8.240 nan 0.000 0.448 928 P HA 0.162 nan 4.420 nan 0.000 0.220 928 P C -0.656 176.496 177.300 -0.245 0.000 1.806 928 P CA -0.475 62.204 63.100 -0.701 0.000 0.976 928 P CB -0.684 30.733 31.700 -0.473 0.000 1.952 929 Y N -0.200 120.040 120.300 -0.100 0.000 2.712 929 Y HA -0.103 4.454 4.550 0.012 0.000 0.333 929 Y C 2.289 178.244 175.900 0.093 0.000 1.225 929 Y CA -0.481 57.631 58.100 0.021 0.000 1.499 929 Y CB 0.595 39.012 38.460 -0.071 0.000 1.288 929 Y HN -0.074 nan 8.280 nan 0.000 0.575 930 V N 3.484 123.625 119.914 0.378 0.000 2.332 930 V HA -0.309 3.818 4.120 0.012 0.000 0.248 930 V C 0.528 176.790 176.094 0.279 0.000 1.055 930 V CA 1.456 63.951 62.300 0.325 0.000 1.038 930 V CB -0.521 31.531 31.823 0.381 0.000 0.651 930 V HN 0.577 nan 8.190 nan 0.000 0.450 931 F N 3.046 123.041 119.950 0.076 0.000 2.371 931 F HA 0.496 5.031 4.527 0.013 0.000 0.363 931 F C -2.462 173.338 175.800 0.001 0.000 1.122 931 F CA -3.434 54.549 58.000 -0.028 0.000 1.129 931 F CB 0.698 39.562 39.000 -0.226 0.000 1.173 931 F HN 0.002 nan 8.300 nan 0.000 0.489 932 P HA 0.225 nan 4.420 nan 0.000 0.268 932 P C -1.028 175.982 177.300 -0.485 0.000 1.205 932 P CA 0.125 62.984 63.100 -0.402 0.000 0.771 932 P CB 1.174 32.649 31.700 -0.374 0.000 0.858 933 S N 0.269 115.871 115.700 -0.163 0.000 2.727 933 S HA 0.476 4.954 4.470 0.012 0.000 0.278 933 S C -0.760 173.834 174.600 -0.010 0.000 1.186 933 S CA -0.951 57.188 58.200 -0.103 0.000 0.836 933 S CB 0.500 63.670 63.200 -0.051 0.000 1.186 933 S HN 0.323 nan 8.310 nan 0.000 0.499 934 E N 1.151 121.355 120.200 0.006 0.000 2.502 934 E HA 0.348 4.706 4.350 0.012 0.000 0.261 934 E C -0.216 176.441 176.600 0.096 0.000 0.974 934 E CA 0.771 57.203 56.400 0.053 0.000 0.936 934 E CB -0.270 29.482 29.700 0.087 0.000 0.926 934 E HN 0.788 nan 8.360 nan 0.000 0.459 935 N N 1.477 120.271 118.700 0.156 0.000 3.046 935 N HA 0.506 5.254 4.740 0.012 0.000 0.243 935 N C 0.183 175.760 175.510 0.112 0.000 1.452 935 N CA -0.582 52.605 53.050 0.228 0.000 0.882 935 N CB 0.983 39.612 38.487 0.236 0.000 1.425 935 N HN 0.718 nan 8.380 nan 0.000 0.517 936 G N -1.313 107.509 108.800 0.036 0.000 2.179 936 G HA2 -0.259 3.708 3.960 0.012 0.000 0.260 936 G HA3 -0.259 3.708 3.960 0.012 0.000 0.260 936 G C -0.225 174.406 174.900 -0.449 0.000 0.977 936 G CA 0.334 45.325 45.100 -0.183 0.000 0.641 936 G HN 0.698 nan 8.290 nan 0.000 0.533 937 L N 0.285 121.166 121.223 -0.570 0.000 2.506 937 L HA 0.646 4.994 4.340 0.012 0.000 0.281 937 L C 0.678 176.960 176.870 -0.980 0.000 1.228 937 L CA 0.491 54.754 54.840 -0.962 0.000 0.850 937 L CB 0.512 41.672 42.059 -1.498 0.000 1.110 937 L HN 0.276 nan 8.230 nan 0.000 0.496 938 R N 2.489 122.336 120.500 -1.088 0.000 2.561 938 R HA 0.522 4.869 4.340 0.012 0.000 0.297 938 R C -0.993 174.962 176.300 -0.575 0.000 0.969 938 R CA -0.281 55.323 56.100 -0.826 0.000 0.879 938 R CB 1.498 31.192 30.300 -1.009 0.000 1.178 938 R HN 0.688 nan 8.270 nan 0.000 0.445 939 C N 0.226 119.338 119.300 -0.314 0.000 2.451 939 C HA 0.726 5.194 4.460 0.012 0.000 0.391 939 C C 1.256 176.228 174.990 -0.031 0.000 1.286 939 C CA 0.062 58.973 59.018 -0.178 0.000 1.935 939 C CB 1.385 29.045 27.740 -0.133 0.000 2.188 939 C HN 1.025 nan 8.230 nan 0.000 0.523 940 G N 1.718 110.514 108.800 -0.007 0.000 2.305 940 G HA2 -0.189 3.778 3.960 0.012 0.000 0.287 940 G HA3 -0.189 3.778 3.960 0.012 0.000 0.287 940 G C -0.033 174.925 174.900 0.097 0.000 1.036 940 G CA 0.632 45.782 45.100 0.084 0.000 0.887 940 G HN 0.789 nan 8.290 nan 0.000 0.505 941 T N -0.098 114.386 114.554 -0.117 0.000 2.845 941 T HA 0.521 4.879 4.350 0.012 0.000 0.288 941 T C 1.359 175.758 174.700 -0.501 0.000 0.980 941 T CA -0.550 61.414 62.100 -0.227 0.000 1.071 941 T CB 1.286 70.032 68.868 -0.202 0.000 0.941 941 T HN 0.225 nan 8.240 nan 0.000 0.487 942 R N 1.481 121.886 120.500 -0.158 0.000 2.279 942 R HA 0.305 4.653 4.340 0.012 0.000 0.195 942 R C 0.502 176.831 176.300 0.050 0.000 0.905 942 R CA 0.192 56.273 56.100 -0.032 0.000 1.044 942 R CB 0.417 30.831 30.300 0.191 0.000 1.056 942 R HN 0.692 nan 8.270 nan 0.000 0.535 943 E N 0.496 120.731 120.200 0.059 0.000 2.335 943 E HA 0.331 4.688 4.350 0.012 0.000 0.280 943 E C -1.877 174.856 176.600 0.223 0.000 0.918 943 E CA -0.665 55.855 56.400 0.200 0.000 0.765 943 E CB 1.573 31.354 29.700 0.136 0.000 1.218 943 E HN -0.093 nan 8.360 nan 0.000 0.425 944 L N 4.022 125.438 121.223 0.322 0.000 2.410 944 L HA 0.591 4.939 4.340 0.012 0.000 0.270 944 L C -1.824 175.229 176.870 0.305 0.000 0.983 944 L CA -0.412 54.551 54.840 0.206 0.000 0.822 944 L CB 1.740 43.778 42.059 -0.036 0.000 1.285 944 L HN 0.473 nan 8.230 nan 0.000 0.409 945 N N 4.545 123.397 118.700 0.254 0.000 2.354 945 N HA 0.392 5.139 4.740 0.012 0.000 0.287 945 N C -1.976 173.746 175.510 0.353 0.000 1.016 945 N CA -0.278 52.916 53.050 0.239 0.000 0.871 945 N CB 2.220 40.795 38.487 0.146 0.000 1.299 945 N HN 0.585 nan 8.380 nan 0.000 0.482 946 Y N 1.251 121.675 120.300 0.207 0.000 2.307 946 Y HA 0.402 4.959 4.550 0.012 0.000 0.323 946 Y C 0.636 176.634 175.900 0.163 0.000 1.100 946 Y CA 0.101 58.328 58.100 0.211 0.000 1.140 946 Y CB 0.572 39.219 38.460 0.312 0.000 1.159 946 Y HN 0.867 nan 8.280 nan 0.000 0.436 947 G N 6.520 115.139 108.800 -0.301 0.000 2.591 947 G HA2 -0.295 3.673 3.960 0.012 0.000 0.298 947 G HA3 -0.295 3.673 3.960 0.012 0.000 0.298 947 G C -1.850 172.927 174.900 -0.204 0.000 1.195 947 G CA 0.153 45.072 45.100 -0.302 0.000 0.989 947 G HN 0.555 nan 8.290 nan 0.000 0.551 948 P HA 0.203 nan 4.420 nan 0.000 0.261 948 P C 0.191 177.258 177.300 -0.390 0.000 1.268 948 P CA 0.524 63.419 63.100 -0.342 0.000 0.833 948 P CB 0.077 31.516 31.700 -0.435 0.000 1.231 949 H N 0.405 119.385 119.070 -0.151 0.000 2.482 949 H HA 0.459 5.023 4.556 0.012 0.000 0.344 949 H C -0.079 174.940 175.328 -0.515 0.000 1.151 949 H CA -0.016 55.790 56.048 -0.404 0.000 1.300 949 H CB 1.658 30.912 29.762 -0.848 0.000 1.494 949 H HN 0.065 nan 8.280 nan 0.000 0.542 950 Q N 2.185 121.685 119.800 -0.499 0.000 2.305 950 Q HA 0.241 4.589 4.340 0.012 0.000 0.271 950 Q C -1.659 174.047 176.000 -0.491 0.000 1.046 950 Q CA -0.721 54.895 55.803 -0.312 0.000 0.798 950 Q CB 2.099 30.797 28.738 -0.068 0.000 1.286 950 Q HN 0.576 nan 8.270 nan 0.000 0.435 951 W N 3.909 125.147 121.300 -0.102 0.000 2.656 951 W HA 0.562 5.230 4.660 0.013 0.000 0.327 951 W C -0.281 176.306 176.519 0.114 0.000 1.041 951 W CA -0.737 56.518 57.345 -0.149 0.000 1.229 951 W CB 1.990 31.160 29.460 -0.484 0.000 1.397 951 W HN 0.530 nan 8.180 nan 0.000 0.479 952 R N 0.869 121.595 120.500 0.376 0.000 2.740 952 R HA 0.803 5.150 4.340 0.012 0.000 0.282 952 R C 0.236 176.824 176.300 0.480 0.000 0.969 952 R CA -0.454 55.898 56.100 0.419 0.000 0.918 952 R CB 2.374 32.827 30.300 0.256 0.000 1.175 952 R HN 0.739 nan 8.270 nan 0.000 0.464 953 G N 0.622 109.719 108.800 0.495 0.000 2.566 953 G HA2 0.041 4.008 3.960 0.012 0.000 0.138 953 G HA3 0.041 4.008 3.960 0.012 0.000 0.138 953 G C -1.756 173.308 174.900 0.274 0.000 1.133 953 G CA -0.306 45.055 45.100 0.436 0.000 1.037 953 G HN 0.490 nan 8.290 nan 0.000 0.491 954 D N -0.081 120.483 120.400 0.273 0.000 2.411 954 D HA 0.561 5.209 4.640 0.012 0.000 0.239 954 D C -0.766 175.568 176.300 0.055 0.000 1.307 954 D CA -0.485 53.548 54.000 0.056 0.000 0.930 954 D CB 0.121 40.980 40.800 0.099 0.000 1.395 954 D HN 0.539 nan 8.370 nan 0.000 0.536 955 F N -0.279 119.671 119.950 -0.001 0.000 2.726 955 F HA 0.736 5.271 4.527 0.012 0.000 0.324 955 F C -0.980 174.782 175.800 -0.063 0.000 1.140 955 F CA -1.020 56.916 58.000 -0.107 0.000 0.964 955 F CB 0.793 39.731 39.000 -0.103 0.000 1.399 955 F HN -0.162 nan 8.300 nan 0.000 0.491 956 Q N 1.589 121.461 119.800 0.119 0.000 2.306 956 Q HA 0.640 4.987 4.340 0.012 0.000 0.265 956 Q C -1.246 174.828 176.000 0.124 0.000 1.022 956 Q CA -0.514 55.283 55.803 -0.011 0.000 0.853 956 Q CB 2.666 31.297 28.738 -0.179 0.000 1.327 956 Q HN 0.863 nan 8.270 nan 0.000 0.449 957 F N -1.183 118.653 119.950 -0.191 0.000 2.711 957 F HA 0.745 5.280 4.527 0.013 0.000 0.313 957 F C -1.362 174.225 175.800 -0.356 0.000 1.141 957 F CA -1.170 56.681 58.000 -0.248 0.000 0.941 957 F CB 1.557 40.427 39.000 -0.216 0.000 1.349 957 F HN 0.570 nan 8.300 nan 0.000 0.464 958 N N 1.061 119.588 118.700 -0.289 0.000 2.357 958 N HA 0.749 5.496 4.740 0.012 0.000 0.284 958 N C -2.069 173.367 175.510 -0.123 0.000 1.236 958 N CA -0.773 52.071 53.050 -0.345 0.000 0.774 958 N CB 2.735 41.035 38.487 -0.312 0.000 1.534 958 N HN 1.124 nan 8.380 nan 0.000 0.478 959 I N 0.335 120.822 120.570 -0.139 0.000 2.649 959 I HA 0.655 4.833 4.170 0.012 0.000 0.289 959 I C -1.491 174.530 176.117 -0.159 0.000 1.222 959 I CA 0.055 61.249 61.300 -0.177 0.000 1.046 959 I CB 1.345 39.180 38.000 -0.275 0.000 1.272 959 I HN 1.068 nan 8.210 nan 0.000 0.425 960 S N 6.191 121.812 115.700 -0.132 0.000 2.655 960 S HA 0.507 4.984 4.470 0.012 0.000 0.266 960 S C -0.327 174.160 174.600 -0.188 0.000 1.149 960 S CA -0.981 57.126 58.200 -0.156 0.000 0.818 960 S CB 1.651 64.801 63.200 -0.083 0.000 1.130 960 S HN 0.625 nan 8.310 nan 0.000 0.476 961 R N -0.051 120.168 120.500 -0.468 0.000 2.356 961 R HA 0.271 4.618 4.340 0.012 0.000 0.234 961 R C -0.920 175.082 176.300 -0.496 0.000 0.929 961 R CA 0.272 56.093 56.100 -0.465 0.000 1.084 961 R CB -0.994 28.919 30.300 -0.643 0.000 1.105 961 R HN 0.663 nan 8.270 nan 0.000 0.515 962 Y N 0.207 120.483 120.300 -0.040 0.000 2.361 962 Y HA 0.191 4.749 4.550 0.012 0.000 0.337 962 Y C 0.644 176.337 175.900 -0.346 0.000 0.965 962 Y CA -1.125 56.864 58.100 -0.184 0.000 1.091 962 Y CB 1.520 39.801 38.460 -0.298 0.000 1.182 962 Y HN -0.084 nan 8.280 nan 0.000 0.450 963 S N 1.715 117.084 115.700 -0.553 0.000 2.593 963 S HA 0.043 4.521 4.470 0.012 0.000 0.269 963 S C 0.903 175.153 174.600 -0.584 0.000 1.334 963 S CA -0.763 56.742 58.200 -1.158 0.000 1.015 963 S CB 1.190 63.523 63.200 -1.445 0.000 0.912 963 S HN 0.730 nan 8.310 nan 0.000 0.541 964 Q N 0.805 120.279 119.800 -0.543 0.000 2.135 964 Q HA -0.218 4.129 4.340 0.012 0.000 0.204 964 Q C 2.186 178.033 176.000 -0.255 0.000 0.981 964 Q CA 1.887 57.512 55.803 -0.295 0.000 0.856 964 Q CB -0.503 28.094 28.738 -0.235 0.000 0.902 964 Q HN 0.967 nan 8.270 nan 0.000 0.425 965 Q N 0.612 120.221 119.800 -0.317 0.000 2.084 965 Q HA -0.220 4.127 4.340 0.012 0.000 0.202 965 Q C 2.129 178.010 176.000 -0.199 0.000 0.978 965 Q CA 1.552 57.231 55.803 -0.207 0.000 0.844 965 Q CB 0.022 28.651 28.738 -0.182 0.000 0.898 965 Q HN 0.420 nan 8.270 nan 0.000 0.426 966 Q N 0.046 119.695 119.800 -0.253 0.000 2.084 966 Q HA -0.163 4.185 4.340 0.012 0.000 0.202 966 Q C 2.134 177.987 176.000 -0.245 0.000 0.978 966 Q CA 1.281 56.942 55.803 -0.236 0.000 0.844 966 Q CB -0.066 28.503 28.738 -0.280 0.000 0.898 966 Q HN 0.478 nan 8.270 nan 0.000 0.426 967 L N -0.066 121.013 121.223 -0.242 0.000 2.131 967 L HA -0.170 4.178 4.340 0.012 0.000 0.210 967 L C 2.594 179.321 176.870 -0.237 0.000 1.092 967 L CA 0.931 55.625 54.840 -0.243 0.000 0.759 967 L CB -0.254 41.698 42.059 -0.177 0.000 0.903 967 L HN 0.374 nan 8.230 nan 0.000 0.435 968 M N -0.808 118.686 119.600 -0.178 0.000 2.349 968 M HA -0.139 4.348 4.480 0.012 0.000 0.266 968 M C 1.633 177.852 176.300 -0.135 0.000 1.076 968 M CA 1.477 56.692 55.300 -0.141 0.000 1.126 968 M CB 0.160 32.692 32.600 -0.114 0.000 1.392 968 M HN 0.191 nan 8.290 nan 0.000 0.440 969 E N -0.940 119.177 120.200 -0.139 0.000 2.474 969 E HA 0.034 4.392 4.350 0.012 0.000 0.194 969 E C -0.298 176.238 176.600 -0.107 0.000 1.041 969 E CA 0.178 56.517 56.400 -0.101 0.000 0.874 969 E CB 0.463 30.112 29.700 -0.085 0.000 0.914 969 E HN 0.259 nan 8.360 nan 0.000 0.498 970 T N 0.131 114.582 114.554 -0.171 0.000 2.797 970 T HA 0.106 4.464 4.350 0.012 0.000 0.279 970 T C 1.043 175.631 174.700 -0.186 0.000 0.991 970 T CA -0.500 61.499 62.100 -0.168 0.000 0.979 970 T CB 1.714 70.439 68.868 -0.238 0.000 0.943 970 T HN 0.016 nan 8.240 nan 0.000 0.444 971 S N 1.703 117.389 115.700 -0.023 0.000 2.501 971 S HA 0.088 4.565 4.470 0.012 0.000 0.220 971 S C 0.275 174.917 174.600 0.069 0.000 0.997 971 S CA 0.290 58.558 58.200 0.113 0.000 0.919 971 S CB -0.208 63.206 63.200 0.357 0.000 0.778 971 S HN 0.749 nan 8.310 nan 0.000 0.523 972 H N 0.369 119.424 119.070 -0.026 0.000 2.771 972 H HA 0.480 5.044 4.556 0.012 0.000 0.361 972 H C 0.912 176.194 175.328 -0.077 0.000 1.108 972 H CA -0.805 55.283 56.048 0.067 0.000 1.201 972 H CB 1.496 31.272 29.762 0.025 0.000 1.681 972 H HN 0.094 nan 8.280 nan 0.000 0.534 973 R N 1.831 122.418 120.500 0.145 0.000 2.127 973 R HA -0.174 4.173 4.340 0.012 0.000 0.238 973 R C 1.054 177.357 176.300 0.004 0.000 1.134 973 R CA 1.966 58.091 56.100 0.042 0.000 0.975 973 R CB -0.429 29.934 30.300 0.106 0.000 0.865 973 R HN 0.773 nan 8.270 nan 0.000 0.447 974 H N 0.696 119.757 119.070 -0.016 0.000 2.559 974 H HA 0.076 4.639 4.556 0.012 0.000 0.273 974 H C 1.451 176.688 175.328 -0.150 0.000 1.000 974 H CA 0.516 56.516 56.048 -0.080 0.000 1.195 974 H CB -0.091 29.618 29.762 -0.088 0.000 1.368 974 H HN 0.299 nan 8.280 nan 0.000 0.592 975 L N 0.842 121.659 121.223 -0.677 0.000 2.592 975 L HA 0.213 4.561 4.340 0.012 0.000 0.227 975 L C 0.644 177.341 176.870 -0.287 0.000 1.127 975 L CA -0.109 54.411 54.840 -0.533 0.000 0.884 975 L CB 0.150 41.891 42.059 -0.530 0.000 1.065 975 L HN 0.070 nan 8.230 nan 0.000 0.457 976 L N 0.392 121.431 121.223 -0.306 0.000 2.436 976 L HA 0.192 4.540 4.340 0.012 0.000 0.265 976 L C 0.097 176.874 176.870 -0.156 0.000 1.168 976 L CA -0.200 54.408 54.840 -0.386 0.000 0.815 976 L CB 0.537 42.151 42.059 -0.742 0.000 1.109 976 L HN 0.190 nan 8.230 nan 0.000 0.462 977 H N 0.988 120.057 119.070 -0.001 0.000 2.771 977 H HA 0.581 5.144 4.556 0.012 0.000 0.361 977 H C -0.874 174.579 175.328 0.208 0.000 1.108 977 H CA -1.243 54.859 56.048 0.089 0.000 1.201 977 H CB 1.296 31.067 29.762 0.014 0.000 1.681 977 H HN 0.682 nan 8.280 nan 0.000 0.534 978 A N 3.445 126.423 122.820 0.264 0.000 2.520 978 A HA 0.083 4.410 4.320 0.012 0.000 0.245 978 A C 0.385 178.055 177.584 0.144 0.000 1.072 978 A CA -0.140 51.923 52.037 0.044 0.000 0.761 978 A CB -0.005 18.958 19.000 -0.062 0.000 1.004 978 A HN 0.831 nan 8.150 nan 0.000 0.499 979 E N 0.714 120.981 120.200 0.112 0.000 2.312 979 E HA 0.234 4.591 4.350 0.012 0.000 0.259 979 E C 0.050 176.696 176.600 0.076 0.000 1.122 979 E CA -0.565 55.947 56.400 0.187 0.000 0.922 979 E CB 0.718 30.613 29.700 0.324 0.000 1.109 979 E HN 0.807 nan 8.360 nan 0.000 0.442 980 E N 0.207 120.441 120.200 0.057 0.000 2.398 980 E HA 0.255 4.612 4.350 0.012 0.000 0.263 980 E C 0.327 176.886 176.600 -0.069 0.000 1.046 980 E CA 0.469 56.863 56.400 -0.010 0.000 0.908 980 E CB 0.391 30.081 29.700 -0.018 0.000 0.963 980 E HN 0.651 nan 8.360 nan 0.000 0.431 981 G N 2.411 111.170 108.800 -0.068 0.000 2.698 981 G HA2 -0.220 3.747 3.960 0.012 0.000 0.233 981 G HA3 -0.220 3.747 3.960 0.012 0.000 0.233 981 G C -0.622 174.216 174.900 -0.102 0.000 1.352 981 G CA -0.166 44.876 45.100 -0.098 0.000 0.879 981 G HN 0.690 nan 8.290 nan 0.000 0.567 982 T N 0.178 114.654 114.554 -0.130 0.000 2.881 982 T HA 0.507 4.865 4.350 0.012 0.000 0.290 982 T C -0.777 173.785 174.700 -0.230 0.000 1.000 982 T CA -0.181 61.853 62.100 -0.111 0.000 0.978 982 T CB 1.361 70.245 68.868 0.027 0.000 0.997 982 T HN 0.569 nan 8.240 nan 0.000 0.443 983 W N 3.250 124.459 121.300 -0.153 0.000 2.322 983 W HA 0.598 5.265 4.660 0.012 0.000 0.307 983 W C -0.243 176.145 176.519 -0.218 0.000 1.220 983 W CA -0.655 56.596 57.345 -0.156 0.000 1.210 983 W CB 0.688 30.068 29.460 -0.134 0.000 1.223 983 W HN 0.392 nan 8.180 nan 0.000 0.511 984 L N 5.376 126.587 121.223 -0.021 0.000 2.341 984 L HA 0.545 4.893 4.340 0.012 0.000 0.278 984 L C -0.982 175.793 176.870 -0.158 0.000 1.005 984 L CA -0.485 54.229 54.840 -0.211 0.000 0.818 984 L CB 0.991 42.775 42.059 -0.458 0.000 1.259 984 L HN 0.305 nan 8.230 nan 0.000 0.418 985 N N 6.789 125.385 118.700 -0.173 0.000 2.407 985 N HA 0.503 5.250 4.740 0.012 0.000 0.277 985 N C -1.285 174.087 175.510 -0.229 0.000 0.995 985 N CA -0.234 52.714 53.050 -0.171 0.000 0.903 985 N CB 2.318 40.729 38.487 -0.126 0.000 1.218 985 N HN 0.565 nan 8.380 nan 0.000 0.487 986 I N 1.809 122.201 120.570 -0.297 0.000 2.439 986 I HA 0.228 4.406 4.170 0.012 0.000 0.285 986 I C -0.800 175.132 176.117 -0.308 0.000 1.021 986 I CA -0.603 60.489 61.300 -0.347 0.000 1.091 986 I CB 1.845 39.464 38.000 -0.636 0.000 1.242 986 I HN 0.165 nan 8.210 nan 0.000 0.439 987 D N 4.360 124.617 120.400 -0.238 0.000 2.192 987 D HA 0.312 4.960 4.640 0.012 0.000 0.246 987 D C 0.980 176.984 176.300 -0.493 0.000 1.042 987 D CA -0.181 53.613 54.000 -0.342 0.000 0.847 987 D CB 2.516 43.218 40.800 -0.163 0.000 1.186 987 D HN 0.701 nan 8.370 nan 0.000 0.461 988 G N 1.075 109.296 108.800 -0.965 0.000 2.408 988 G HA2 -0.000 3.967 3.960 0.012 0.000 0.215 988 G HA3 -0.000 3.967 3.960 0.012 0.000 0.215 988 G C 0.077 174.230 174.900 -1.245 0.000 1.156 988 G CA 0.525 44.934 45.100 -1.151 0.000 0.793 988 G HN 0.373 nan 8.290 nan 0.000 0.535 989 F N -2.042 117.716 119.950 -0.321 0.000 2.601 989 F HA 0.605 5.139 4.527 0.012 0.000 0.309 989 F C -0.565 175.130 175.800 -0.175 0.000 1.089 989 F CA -1.151 56.735 58.000 -0.189 0.000 0.940 989 F CB 2.206 41.007 39.000 -0.331 0.000 1.273 989 F HN 0.042 nan 8.300 nan 0.000 0.450 990 H N 1.853 120.926 119.070 0.006 0.000 2.865 990 H HA 0.526 5.089 4.556 0.012 0.000 0.362 990 H C -0.909 174.444 175.328 0.041 0.000 1.114 990 H CA -0.850 55.180 56.048 -0.030 0.000 1.208 990 H CB 1.819 31.548 29.762 -0.055 0.000 1.727 990 H HN 0.769 nan 8.280 nan 0.000 0.534 991 M N 3.542 123.063 119.600 -0.132 0.000 2.240 991 M HA 0.315 4.803 4.480 0.012 0.000 0.333 991 M C 0.475 176.883 176.300 0.180 0.000 1.110 991 M CA 0.239 55.551 55.300 0.019 0.000 1.173 991 M CB 0.431 32.943 32.600 -0.147 0.000 1.458 991 M HN 0.831 nan 8.290 nan 0.000 0.458 992 G N 2.704 111.597 108.800 0.156 0.000 2.699 992 G HA2 0.281 4.249 3.960 0.012 0.000 0.246 992 G HA3 0.281 4.249 3.960 0.012 0.000 0.246 992 G C 0.580 175.475 174.900 -0.009 0.000 1.219 992 G CA -0.390 44.744 45.100 0.058 0.000 0.866 992 G HN 0.977 nan 8.290 nan 0.000 0.572 993 I N -1.814 118.703 120.570 -0.089 0.000 3.645 993 I HA 0.413 4.591 4.170 0.012 0.000 0.300 993 I C 1.194 177.255 176.117 -0.093 0.000 1.260 993 I CA 0.414 61.624 61.300 -0.151 0.000 1.365 993 I CB -0.567 37.244 38.000 -0.315 0.000 1.077 993 I HN 0.933 nan 8.210 nan 0.000 0.439 994 G N 1.596 110.365 108.800 -0.052 0.000 2.645 994 G HA2 0.029 3.997 3.960 0.012 0.000 0.246 994 G HA3 0.029 3.997 3.960 0.012 0.000 0.246 994 G C 0.555 175.458 174.900 0.006 0.000 1.322 994 G CA 0.114 45.218 45.100 0.006 0.000 0.898 994 G HN 1.359 nan 8.290 nan 0.000 0.573 995 G N -2.448 106.369 108.800 0.027 0.000 2.559 995 G HA2 0.001 3.968 3.960 0.012 0.000 0.202 995 G HA3 0.001 3.968 3.960 0.012 0.000 0.202 995 G C 0.659 175.615 174.900 0.092 0.000 0.992 995 G CA 0.945 46.068 45.100 0.039 0.000 0.764 995 G HN 0.956 nan 8.290 nan 0.000 0.525 996 D N 1.255 121.730 120.400 0.126 0.000 2.190 996 D HA 0.091 4.738 4.640 0.012 0.000 0.200 996 D C 1.012 177.338 176.300 0.043 0.000 0.992 996 D CA 2.066 56.203 54.000 0.228 0.000 0.854 996 D CB 0.136 41.081 40.800 0.241 0.000 0.936 996 D HN 0.815 nan 8.370 nan 0.000 0.462 997 D N -3.366 116.859 120.400 -0.291 0.000 2.615 997 D HA 0.333 4.980 4.640 0.012 0.000 0.267 997 D C -0.747 175.046 176.300 -0.845 0.000 1.236 997 D CA -0.741 52.661 54.000 -0.997 0.000 0.839 997 D CB 0.963 40.630 40.800 -1.889 0.000 1.380 997 D HN -0.315 nan 8.370 nan 0.000 0.433 998 S N -0.520 114.531 115.700 -1.082 0.000 2.651 998 S HA 0.240 4.717 4.470 0.012 0.000 0.246 998 S C -0.592 174.071 174.600 0.105 0.000 1.039 998 S CA -0.663 57.411 58.200 -0.210 0.000 1.013 998 S CB -0.496 62.818 63.200 0.190 0.000 0.861 998 S HN 0.625 nan 8.310 nan 0.000 0.485 999 W N 0.791 122.039 121.300 -0.086 0.000 2.055 999 W HA 0.507 5.174 4.660 0.012 0.000 0.293 999 W C -0.037 176.436 176.519 -0.078 0.000 0.886 999 W CA -0.534 56.762 57.345 -0.082 0.000 1.384 999 W CB -0.565 28.770 29.460 -0.209 0.000 1.068 999 W HN 0.155 nan 8.180 nan 0.000 0.513 1000 S N -0.936 114.675 115.700 -0.149 0.000 2.579 1000 S HA 0.686 5.164 4.470 0.012 0.000 0.272 1000 S C -3.074 171.471 174.600 -0.091 0.000 1.141 1000 S CA -1.744 56.407 58.200 -0.082 0.000 0.843 1000 S CB 1.958 65.126 63.200 -0.052 0.000 1.122 1000 S HN -0.251 nan 8.310 nan 0.000 0.468 1001 P HA 0.220 nan 4.420 nan 0.000 0.264 1001 P C 0.283 177.622 177.300 0.064 0.000 1.193 1001 P CA -0.092 63.016 63.100 0.014 0.000 0.763 1001 P CB 0.714 32.304 31.700 -0.183 0.000 0.810 1002 S N 0.238 116.023 115.700 0.141 0.000 2.847 1002 S HA 0.134 4.612 4.470 0.012 0.000 0.254 1002 S C 0.171 174.863 174.600 0.153 0.000 1.039 1002 S CA -0.314 57.944 58.200 0.096 0.000 1.113 1002 S CB -0.322 62.886 63.200 0.013 0.000 1.092 1002 S HN 0.110 nan 8.310 nan 0.000 0.620 1003 V N 2.913 122.968 119.914 0.236 0.000 2.470 1003 V HA 0.357 4.484 4.120 0.012 0.000 0.276 1003 V C 0.846 177.099 176.094 0.266 0.000 1.040 1003 V CA -0.197 62.231 62.300 0.214 0.000 1.008 1003 V CB 1.005 32.917 31.823 0.147 0.000 0.990 1003 V HN 0.522 nan 8.190 nan 0.000 0.477 1004 S N 3.953 119.819 115.700 0.277 0.000 2.568 1004 S HA 0.277 4.755 4.470 0.012 0.000 0.282 1004 S C 1.521 176.269 174.600 0.247 0.000 1.338 1004 S CA 0.049 58.406 58.200 0.261 0.000 1.045 1004 S CB 1.102 64.488 63.200 0.310 0.000 0.873 1004 S HN 0.992 nan 8.310 nan 0.000 0.516 1005 A N 3.561 126.483 122.820 0.171 0.000 1.948 1005 A HA -0.146 4.181 4.320 0.012 0.000 0.220 1005 A C 2.000 179.627 177.584 0.073 0.000 1.177 1005 A CA 1.823 53.949 52.037 0.149 0.000 0.636 1005 A CB -0.606 18.457 19.000 0.105 0.000 0.815 1005 A HN 0.954 nan 8.150 nan 0.000 0.449 1006 E N -0.935 119.246 120.200 -0.032 0.000 2.478 1006 E HA -0.107 4.250 4.350 0.012 0.000 0.198 1006 E C 0.742 177.136 176.600 -0.343 0.000 1.046 1006 E CA 0.691 56.962 56.400 -0.215 0.000 0.870 1006 E CB -0.425 29.056 29.700 -0.366 0.000 0.818 1006 E HN 0.691 nan 8.360 nan 0.000 0.527 1007 F N 1.092 121.100 119.950 0.096 0.000 2.653 1007 F HA 0.263 4.798 4.527 0.012 0.000 0.304 1007 F C 0.867 176.714 175.800 0.079 0.000 1.092 1007 F CA -0.502 57.556 58.000 0.096 0.000 1.279 1007 F CB 0.559 39.616 39.000 0.096 0.000 1.044 1007 F HN -0.185 nan 8.300 nan 0.000 0.564 1008 Q N 1.268 121.188 119.800 0.199 0.000 2.235 1008 Q HA 0.396 4.744 4.340 0.012 0.000 0.250 1008 Q C -0.253 175.795 176.000 0.079 0.000 0.909 1008 Q CA -0.483 55.416 55.803 0.159 0.000 0.910 1008 Q CB 1.826 30.751 28.738 0.311 0.000 1.223 1008 Q HN 0.243 nan 8.270 nan 0.000 0.432 1009 L N 2.512 123.770 121.223 0.060 0.000 2.387 1009 L HA 0.117 4.464 4.340 0.012 0.000 0.267 1009 L C 0.482 177.343 176.870 -0.015 0.000 1.197 1009 L CA -0.068 54.803 54.840 0.051 0.000 1.070 1009 L CB -0.287 41.698 42.059 -0.125 0.000 1.349 1009 L HN 0.699 nan 8.230 nan 0.000 0.422 1010 S N -1.018 114.569 115.700 -0.188 0.000 2.593 1010 S HA 0.165 4.643 4.470 0.012 0.000 0.236 1010 S C 1.582 176.097 174.600 -0.141 0.000 0.991 1010 S CA 0.133 58.039 58.200 -0.490 0.000 0.963 1010 S CB 0.799 63.534 63.200 -0.774 0.000 0.865 1010 S HN 0.530 nan 8.310 nan 0.000 0.488 1011 A N 1.503 124.272 122.820 -0.085 0.000 2.121 1011 A HA 0.437 4.764 4.320 0.012 0.000 0.218 1011 A C 2.097 179.521 177.584 -0.267 0.000 1.154 1011 A CA 1.263 53.118 52.037 -0.304 0.000 0.679 1011 A CB -1.217 17.360 19.000 -0.705 0.000 0.795 1011 A HN 1.457 nan 8.150 nan 0.000 0.458 1012 G N -1.420 107.321 108.800 -0.098 0.000 2.900 1012 G HA2 -0.293 3.675 3.960 0.012 0.000 0.223 1012 G HA3 -0.293 3.675 3.960 0.012 0.000 0.223 1012 G C 0.450 175.331 174.900 -0.033 0.000 1.293 1012 G CA 0.431 45.523 45.100 -0.014 0.000 0.792 1012 G HN 0.692 nan 8.290 nan 0.000 0.527 1013 R N -0.475 119.882 120.500 -0.238 0.000 2.621 1013 R HA 0.718 5.065 4.340 0.012 0.000 0.292 1013 R C -1.517 174.520 176.300 -0.438 0.000 0.969 1013 R CA -0.559 55.445 56.100 -0.159 0.000 0.887 1013 R CB 1.534 31.783 30.300 -0.084 0.000 1.180 1013 R HN 0.288 nan 8.270 nan 0.000 0.450 1014 Y N 0.353 120.635 120.300 -0.031 0.000 2.492 1014 Y HA 0.339 4.897 4.550 0.012 0.000 0.346 1014 Y C -0.565 175.452 175.900 0.195 0.000 0.997 1014 Y CA -0.822 57.212 58.100 -0.111 0.000 1.025 1014 Y CB 2.225 40.484 38.460 -0.335 0.000 1.263 1014 Y HN 0.591 nan 8.280 nan 0.000 0.454 1015 H N 2.954 122.263 119.070 0.399 0.000 2.679 1015 H HA 0.610 5.173 4.556 0.012 0.000 0.360 1015 H C -1.729 173.986 175.328 0.646 0.000 1.105 1015 H CA -0.884 55.403 56.048 0.398 0.000 1.196 1015 H CB 1.169 31.072 29.762 0.235 0.000 1.636 1015 H HN 0.579 nan 8.280 nan 0.000 0.531 1016 Y N 1.973 122.090 120.300 -0.305 0.000 2.625 1016 Y HA 0.513 5.071 4.550 0.012 0.000 0.338 1016 Y C -1.660 174.062 175.900 -0.297 0.000 1.123 1016 Y CA -1.150 56.863 58.100 -0.144 0.000 1.046 1016 Y CB 1.519 39.998 38.460 0.031 0.000 1.299 1016 Y HN 0.790 nan 8.280 nan 0.000 0.464 1017 Q N 2.205 122.024 119.800 0.031 0.000 2.340 1017 Q HA 0.785 5.132 4.340 0.012 0.000 0.276 1017 Q C -2.585 173.509 176.000 0.157 0.000 1.048 1017 Q CA -0.690 55.112 55.803 -0.002 0.000 0.832 1017 Q CB 2.751 31.532 28.738 0.072 0.000 1.373 1017 Q HN 0.907 nan 8.270 nan 0.000 0.409 1018 L N 1.776 123.077 121.223 0.130 0.000 2.376 1018 L HA 0.809 5.157 4.340 0.012 0.000 0.258 1018 L C -1.148 175.843 176.870 0.201 0.000 1.013 1018 L CA -1.259 53.695 54.840 0.190 0.000 0.822 1018 L CB 2.728 44.879 42.059 0.153 0.000 1.388 1018 L HN 0.543 nan 8.230 nan 0.000 0.413 1019 V N 0.496 120.551 119.914 0.235 0.000 2.487 1019 V HA 0.406 4.533 4.120 0.012 0.000 0.298 1019 V C -1.330 174.934 176.094 0.283 0.000 1.028 1019 V CA -0.422 62.022 62.300 0.241 0.000 0.860 1019 V CB 2.107 34.046 31.823 0.194 0.000 0.991 1019 V HN 0.624 nan 8.190 nan 0.000 0.427 1020 W N 6.946 128.309 121.300 0.105 0.000 2.417 1020 W HA 0.698 5.365 4.660 0.013 0.000 0.315 1020 W C -0.224 176.292 176.519 -0.004 0.000 1.045 1020 W CA -1.112 56.211 57.345 -0.036 0.000 1.221 1020 W CB 1.349 30.854 29.460 0.076 0.000 1.309 1020 W HN 0.881 nan 8.180 nan 0.000 0.453 1021 C N 4.347 123.850 119.300 0.339 0.000 3.336 1021 C HA 0.714 5.182 4.460 0.012 0.000 0.352 1021 C C -0.258 174.837 174.990 0.175 0.000 1.567 1021 C CA -0.692 58.482 59.018 0.260 0.000 1.328 1021 C CB 1.784 29.625 27.740 0.169 0.000 1.922 1021 C HN 0.743 nan 8.230 nan 0.000 0.439 1022 Q N 0.914 120.776 119.800 0.103 0.000 2.699 1022 Q HA 0.828 5.175 4.340 0.012 0.000 0.240 1022 Q C -1.272 174.723 176.000 -0.008 0.000 1.033 1022 Q CA -0.325 55.485 55.803 0.012 0.000 0.938 1022 Q CB 2.001 30.727 28.738 -0.020 0.000 1.312 1022 Q HN 0.970 nan 8.270 nan 0.000 0.507 1023 K N 0.000 120.373 120.400 -0.044 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.265 56.287 -0.037 0.000 0.838 1023 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543